3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C23H30N2O4S MolecularWeight: 430.5603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O4S/c1-18-7-13-22(29-2)21(17-18)24-23(26)14-10-19-8-11-20(12-9-19)30(27,28)25-15-5-3-4-6-16-25/h7-9,11-13,17H,3-6,10,14-16H2,1-2H3,(H,24,26)