4-(cyanomethylsulfonylmethyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-(cyanomethylsulfonylmethyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-(cyanomethylsulfonylmethyl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]benzamide CAS Name: 4-(cyanomethylsulfonylmethyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide IUPAC Name: 4-(cyanomethylsulfonylmethyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide Traditional Name: 4-(cyanomethylsulfonylmethyl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)CS(=O)(=O)CC#N

InChI

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