3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(methylcarbamoyl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(methylcarbamoyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24ClN3O4S/c1-23-21(27)16-8-4-5-9-18(16)24-20(26)15-10-11-17(22)19(14-15)30(28,29)25-12-6-2-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,27)(H,24,26)