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

Systemtic Name: N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]methanesulfonamide Openeye Name: N-[3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H23N3O3S2/c1-26(23,24)19-16-6-2-5-15(13-16)18(22)21-9-4-8-20(10-11-21)14-17-7-3-12-25-17/h2-3,5-7,12-13,19H,4,8-11,14H2,1H3