N-[4-(cyanomethyl)phenyl]-4-methyl-3-(phenylsulfonylamino)benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-methyl-3-(phenylsulfonylamino)benzamide Openeye Name: 3-(benzenesulfonamido)-N-[4-(cyanomethyl)phenyl]-4-methyl-benzamide CAS Name: 3-(benzenesulfonamido)-N-[4-(cyanomethyl)phenyl]-4-methylbenzamide IUPAC Name: 3-(benzenesulfonamido)-N-[4-(cyanomethyl)phenyl]-4-methylbenzamide Traditional Name: 3-(benzenesulfonamido)-N-[4-(cyanomethyl)phenyl]-4-methyl-benzamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC#N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC#N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3S/c1-16-7-10-18(22(26)24-19-11-8-17(9-12-19)13-14-23)15-21(16)25-29(27,28)20-5-3-2-4-6-20/h2-12,15,25H,13H2,1H3,(H,24,26)