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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(3-methylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(3-methyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(N-mesyl-3-methyl-anilino)acetamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-14-4-3-5-17(12-14)21(25(2,23)24)13-18(22)20-16-8-6-15(7-9-16)10-11-19/h3-9,12H,10,13H2,1-2H3,(H,20,22)