3-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

Systemtic Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 3-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 3-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 3-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 3-(4-mesyl-1,4-diazepane-1-carbonyl)-N-(2-thenyl)benzenesulfonamide Formula: C18H23N3O5S3 MolecularWeight: 457.58732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H23N3O5S3/c1-28(23,24)21-9-4-8-20(10-11-21)18(22)15-5-2-7-17(13-15)29(25,26)19-14-16-6-3-12-27-16/h2-3,5-7,12-13,19H,4,8-11,14H2,1H3