N-[4-(cyanomethyl)phenyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(N-mesyl-4-methyl-anilino)butyramide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)CC#N)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)CC#N)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O3S/c1-4-19(20(24)22-17-9-7-16(8-10-17)13-14-21)23(27(3,25)26)18-11-5-15(2)6-12-18/h5-12,19H,4,13H2,1-3H3,(H,22,24)