N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-mesyl-2,5-dimethyl-anilino)propionamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C

InChI

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