N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-mesyl-4-methyl-anilino)butyramide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)N(C3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)N(C3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C25H33N3O4S/c1-4-23(28(33(3,31)32)20-15-13-19(2)14-16-20)24(29)26-22-12-8-7-11-21(22)25(30)27-17-9-5-6-10-18-27/h7-8,11-16,23H,4-6,9-10,17-18H2,1-3H3,(H,26,29)