N-[2-(azepan-1-yl)phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-mesyl-benzamide Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C20H24N2O3S/c1-26(24,25)17-10-8-9-16(15-17)20(23)21-18-11-4-5-12-19(18)22-13-6-2-3-7-14-22/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,21,23)