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

Systemtic Name: N-butan-2-yl-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-sec-butyl-4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-butan-2-yl-4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-sec-butyl-4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3O3S2/c1-3-17(2)22-29(26,27)20-9-7-18(8-10-20)21(25)24-12-5-11-23(13-14-24)16-19-6-4-15-28-19/h4,6-10,15,17,22H,3,5,11-14,16H2,1-2H3