(2R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)propanamide

Systemtic Name: (2R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)propanamide Openeye Name: (2R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)propanamide CAS Name: (2R)-N-[3-(1-azepanylsulfonyl)phenyl]-2-(3-methylphenoxy)propanamide IUPAC Name: (2R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)propanamide Traditional Name: (2R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)propionamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-17-9-7-11-20(15-17)28-18(2)22(25)23-19-10-8-12-21(16-19)29(26,27)24-13-5-3-4-6-14-24/h7-12,15-16,18H,3-6,13-14H2,1-2H3,(H,23,25)/t18-/m1/s1