AG003SH1

56187-04-3 | 4-Methyl-N,N-bis(2-(4-methylphenylsulfonamido)ethyl)benzenesulfonamide

AG003SH1

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CAS Number	56187-04-3
Catalog Number	AG003SH1(AGN-PC-0SKWC6)
Chemical Name	4-Methyl-N,N-bis(2-(4-methylphenylsulfonamido)ethyl)benzenesulfonamide
EC Number	413-300-5
IUPAC Name	4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide
InChI	InChI=1S/C25H31N3O6S3/c1-20-4-10-23(11-5-20)35(29,30)26-16-18-28(37(33,34)25-14-8-22(3)9-15-25)19-17-27-36(31,32)24-12-6-21(2)7-13-24/h4-15,26-27H,16-19H2,1-3H3
InChI Key	OCDIAWYQMCPHAM-UHFFFAOYSA-N
MDL Number	MFCD00015623
Molecular Formula	C25H31N3O6S3
Molecular Weight	565.7251
SMILES	CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCNS(=O)(=O)C1=CC=C(C)C=C1)S(=O)(=O)C1=CC=C(C)C=C1
Synonyms	56187-04-3, 4-Methyl-N,N-bis(2-(4-methylphenylsulfonamido)ethyl)benzenesulfonamide, N,N',N''-Tritosyldiethylenetriamine, N,N',N''-Tris(p-toluenesulfonyl)diethylenetriamine, NSC694885, OCDIAWYQMCPHAM-UHFFFAOYSA-N, AK110891, 4-methyl-N,N-bis(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)benzenesulfonamide, AC1L7UEQ, AC1Q2LPK, ACMC-209lr6, SCHEMBL598551, CHEMBL2008840, CTK8B1915, DTXSID20311721, ZINC1765626, ANW-32464, MFCD00015623, NSC245019, NSC249331, RW2728, AKOS001483610, ACN-025223, DS-4988, MCULE-7868932114, NSC-245019, NSC-249331, NSC-694885, VZ32794, KS-000015C1, NCI60_041068, OR302650, 2,2'-(Tosylimino)bis(N-tosylethaneamine), AX8001776, DB-052859, TR-019746, 4CH-009493, FT-0640362, ST24029172, ST50408963, n,n,n-tris(p-toluenesulfonyl)diethylenetriamine, N,N',N''-Tritosyldiethylenetriamine, >=99.0%, C-23238, N,N',N"-tri(p-toluenesulfonyl)diethylene-triamine, 1,4,7-Tris(p-toluenesulfonyl)-1,4,7-triazaheptane, I14-19180, 1,4,7-Triazaheptane, 1,4,7-tris(p-toluenesulfonyl)-, 4-methyl-N,N-bis({2-[(4-methylbenzene)sulfonamido]ethyl})benzene-1-sulfonamide, 4-methyl-N-[2-[p-tolylsulfonyl-[2-(p-tolylsulfonylamino)ethyl]amino]ethyl]benzenesulfonamide, Benzenesulfonamide,4-methyl-N,N-bis[2-[[(4-methylphenyl)sulfonyl]amino]ethyl]-, [(4-methylphenyl)sulfonyl]{2-[[(4-methylphenyl)sulfonyl](2-{[(4-methylphenyl)s ulfonyl]amino}ethyl)amino]ethyl}amine, 4-Methyl-N-(2-(((4-methylphenyl)sulfonyl)(2-(((4-methylphenyl)sulfonyl)amino)ethyl)amino)ethyl)benzenesulfonamide, 4-Methyl-N-(2-[[(4-methylphenyl)sulfonyl](2-([(4-methylphenyl)sulfonyl]amino)ethyl)amino]ethyl)benzenesulfonamide #, 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide, N,N inverted exclamation marka,N inverted exclamation marka inverted exclamation marka-Tritosyldiethylenetriamine, N,N'-{[(4-Methylbenzene-1-sulfonyl)azanediyl]di(ethane-2,1-diyl)}bis(4-methylbenzene-1-sulfonamide), CID316685, T1723, EC 413-300-5, 4-methyl-N,N-bis(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide,

Complexity	949
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	565.137g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	565.718g/mol
Monoisotopic Mass	565.137g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	155A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H413
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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