4-[(2-chlorophenyl)methyl-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]benzamide

Systemtic Name: 4-[(2-chlorophenyl)methyl-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]benzamide Openeye Name: 4-[(2-chlorophenyl)methyl-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]benzamide CAS Name: 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(cyanomethyl)phenyl]benzamide IUPAC Name: 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(cyanomethyl)phenyl]benzamide Traditional Name: 4-[(2-chlorobenzyl)-mesyl-amino]-N-[4-(cyanomethyl)phenyl]benzamide Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C23H20ClN3O3S/c1-31(29,30)27(16-19-4-2-3-5-22(19)24)21-12-8-18(9-13-21)23(28)26-20-10-6-17(7-11-20)14-15-25/h2-13H,14,16H2,1H3,(H,26,28)