N,1-dibutyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: N,1-dibutyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: N,1-dibutyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,1-dibutyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: N,1-dibutyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: N,1-dibutyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C26H34N4O3S2 MolecularWeight: 514.70316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)CCCC

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)CCCC

InChI

InChI=1S/C26H34N4O3S2/c1-3-5-14-27-35(32,33)22-11-12-24-23(17-22)28-26(30(24)15-6-4-2)34-19-25(31)29-16-13-20-9-7-8-10-21(20)18-29/h7-12,17,27H,3-6,13-16,18-19H2,1-2H3