AG000KB3

1233-56-3 | Methyl 2-{[(4-methylphenyl)sulfonyl]amino}-2- phenyl acetate

AG000KB3

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CAS Number	1233-56-3
Catalog Number	AG000KB3(AGN-PC-0PHEA2)
Chemical Name	Methyl 2-{[(4-methylphenyl)sulfonyl]amino}-2- phenyl acetate
IUPAC Name	methyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
InChI	InChI=1S/C16H17NO4S/c1-12-8-10-14(11-9-12)22(19,20)17-15(16(18)21-2)13-6-4-3-5-7-13/h3-11,15,17H,1-2H3
InChI Key	RUYIDMOVZKCDIJ-UHFFFAOYSA-N
MDL Number	MFCD00664343
Molecular Formula	C16H17NO4S
Molecular Weight	319.3755
SMILES	COC(=O)C(NS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=CC=C1
Synonyms	1233-56-3, Methyl 2-(4-methylphenylsulfonamido)-2-phenylacetate, methyl 2-{[(4-methylphenyl)sulfonyl]amino}-2-phenylacetate, methyl 2-(4-methylbenzenesulfonamido)-2-phenylacetate, METHYL 2-([(4-METHYLPHENYL)SULFONYL]AMINO)-2-PHENYLACETATE, AC1MCAOH, methylmethylphenylsulfonylaminophenylacetate, (R)-Methyl 2-(4-methylphenylsulfonamido)-2-phenylacetate, Oprea1_832165, MLS000755891, CHEMBL1391405, CTK4B3482, KS-00001QMP, HMS2599C05, 4466AA, ANW-55809, MFCD00664343, N-Tosyl-2-phenylglycine methyl ester, AKOS005069185, MCULE-6949133668, RP16469, 10G-326S, SMR000337923, AX8137966, TR-003682, FT-0679913, A802280, I05-1459, methyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate, methyl 2-[(4-methylphenyl)sulfonylamino]-2-phenyl-ethanoate, 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid methyl ester, Benzeneacetic acid, a-[[(4-methylphenyl)sulfonyl]amino]-,methyl ester, C16H17NO4S, ZINC03883132, CID2765029, (S)-Methyl 2-(4-methylphenylsulfonamido)-2-phenylacetate, Methyl 2-(4-methylphenylsulfomido)-2-phenylacetate, 111047-53-1, 111047-54-2,

Complexity	457
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	319.088g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	319.375g/mol
Monoisotopic Mass	319.088g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	80.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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