3-(azepan-1-ylsulfonyl)-N-[3-(propanoylamino)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3-(propanoylamino)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3-(propanoylamino)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3-(1-oxopropylamino)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3-(propanoylamino)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3-propionamidophenyl)benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O4S/c1-2-21(26)23-18-10-8-11-19(16-18)24-22(27)17-9-7-12-20(15-17)30(28,29)25-13-5-3-4-6-14-25/h7-12,15-16H,2-6,13-14H2,1H3,(H,23,26)(H,24,27)