4-[[[4-(cyanomethylsulfonylmethyl)phenyl]carbonyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[4-(cyanomethylsulfonylmethyl)phenyl]carbonyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[4-(cyanomethylsulfonylmethyl)benzoyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[[4-(cyanomethylsulfonylmethyl)phenyl]-oxomethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[4-(cyanomethylsulfonylmethyl)benzoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[4-(cyanomethylsulfonylmethyl)benzoyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

InChI

InChI=1S/C20H21N3O4S/c1-22-19(24)17-7-3-15(4-8-17)13-23(2)20(25)18-9-5-16(6-10-18)14-28(26,27)12-11-21/h3-10H,12-14H2,1-2H3,(H,22,24)