3-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[4-(methylcarbamoyl)benzyl]benzamide Formula: C25H31N3O4S MolecularWeight: 469.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-26-24(29)20-11-9-19(10-12-20)18-28(22-13-14-22)25(30)21-7-6-8-23(17-21)33(31,32)27-15-4-2-3-5-16-27/h6-12,17,22H,2-5,13-16,18H2,1H3,(H,26,29)