N-[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]benzamide

Systemtic Name: N-[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]benzamide Openeye Name: N-[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]benzamide CAS Name: N-[4-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]benzamide IUPAC Name: N-[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]benzamide Traditional Name: N-[4-(4-mesyl-1,4-diazepane-1-carbonyl)phenyl]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S/c1-28(26,27)23-13-5-12-22(14-15-23)20(25)17-8-10-18(11-9-17)21-19(24)16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3,(H,21,24)