N-[4-(cyanomethyl)phenyl]-2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: 2-(3-acetyl-N-methylsulfonyl-anilino)-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-(3-acetyl-N-methylsulfonylanilino)-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-(3-acetyl-N-methylsulfonylanilino)-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-(3-acetyl-N-mesyl-anilino)-N-[4-(cyanomethyl)phenyl]acetamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C

InChI

InChI=1S/C19H19N3O4S/c1-14(23)16-4-3-5-18(12-16)22(27(2,25)26)13-19(24)21-17-8-6-15(7-9-17)10-11-20/h3-9,12H,10,13H2,1-2H3,(H,21,24)