AG00060F

1019331-10-2 | 2-Chloro-N-({4-[2-(cyanosulfamoyl)phenyl]phenyl}methyl)-N-[(4-methylphenyl)methyl]benzamide

AG00060F

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CAS Number	1019331-10-2
Catalog Number	AG00060F(AGN-PC-0WAF0K)
Chemical Name	2-Chloro-N-({4-[2-(cyanosulfamoyl)phenyl]phenyl}methyl)-N-[(4-methylphenyl)methyl]benzamide
IUPAC Name	2-chloro-N-[[4-[2-(cyanosulfamoyl)phenyl]phenyl]methyl]-N-[(4-methylphenyl)methyl]benzamide
InChI	InChI=1S/C29H24ClN3O3S/c1-21-10-12-22(13-11-21)18-33(29(34)26-7-2-4-8-27(26)30)19-23-14-16-24(17-15-23)25-6-3-5-9-28(25)37(35,36)32-20-31/h2-17,32H,18-19H2,1H3
InChI Key	ITDBPOSLOROLMT-UHFFFAOYSA-N
MDL Number	MFCD23136018
Molecular Formula	C29H24ClN3O3S
Molecular Weight	530.0372
SMILES	CC(C=C1)=CC=C1CN(C(C2=CC=CC=C2Cl)=O)CC(C=C3)=CC=C3C(C=CC=C4)=C4S(NC#N)(=O)=O
Synonyms	S0859, 1019331-10-2, 2-chloro-N-((2'-(N-cyanosulfamoyl)biphenyl-4-yl)methyl)-N-(4-methylbenzyl)benzamide, 2-Chloro-N-((2'-(N-cyanosulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-N-(4-methylbenzyl)benzamide, C29H24ClN3O3S, QCR-54, CHEMBL3775958, AOB1489, DTXSID90742624, SYN5105, BCP06882, EX-A1457, 4019AH, MFCD23136018, AKOS025149449, ZINC101773655, CS-1092, AK174879, AS-16469, BC600664, HY-15529, SC-95408, AB0094927, J3.550.564D, S 0859, S-0589, W-6002, 2-Chloro-N-({4-[2-(cyanosulfamoyl)phenyl]phenyl}methyl)-N-[(4-methylphenyl)methyl]benzamide, 2-Chloro-N-{[2'-(cyanosulfamoyl)[1,1'-biphenyl]-4-yl]methyl}-N-[(4-methylphenyl)methyl]benzamide, Benzamide, 2-chloro-N-[[2'-[(cyanoamino)sulfonyl][1,1'-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]-, ITDBPOSLOROLMT-UHFFFAOYSA-N, A15228, 2-Chloro-N-[[2-[(cyanoamino)sulfonyl][1,1-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]-benzamide,

Complexity	897
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	529.123g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	530.039g/mol
Monoisotopic Mass	529.123g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	98.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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