4-(cyanomethylsulfonylmethyl)-N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 4-(cyanomethylsulfonylmethyl)-N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 4-(cyanomethylsulfonylmethyl)-N-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 4-(cyanomethylsulfonylmethyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 4-(cyanomethylsulfonylmethyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 4-(cyanomethylsulfonylmethyl)-N-[2-(2,5-dimethylanilino)-2-keto-ethyl]-N-methyl-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-15-4-5-16(2)19(12-15)23-20(25)13-24(3)21(26)18-8-6-17(7-9-18)14-29(27,28)11-10-22/h4-9,12H,11,13-14H2,1-3H3,(H,23,25)