4-[(3-methylphenyl)-methylsulfonyl-amino]-N-pyridin-3-yl-butanamide

Systemtic Name: 4-[(3-methylphenyl)-methylsulfonyl-amino]-N-pyridin-3-yl-butanamide Openeye Name: 4-(3-methyl-N-methylsulfonyl-anilino)-N-(3-pyridyl)butanamide CAS Name: 4-(3-methyl-N-methylsulfonylanilino)-N-(3-pyridinyl)butanamide IUPAC Name: 4-(3-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide Traditional Name: 4-(N-mesyl-3-methyl-anilino)-N-(3-pyridyl)butyramide Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-14-6-3-8-16(12-14)20(24(2,22)23)11-5-9-17(21)19-15-7-4-10-18-13-15/h3-4,6-8,10,12-13H,5,9,11H2,1-2H3,(H,19,21)