N-butyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide Openeye Name: N-butyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide CAS Name: N-butyl-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-butyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide Traditional Name: N-butyl-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-3H-benzimidazole-5-sulfonamide Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC=CN3

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC=CN3

InChI

InChI=1S/C17H20N4O3S2/c1-2-3-9-19-26(23,24)12-6-7-13-15(10-12)21-17(20-13)25-11-16(22)14-5-4-8-18-14/h4-8,10,18-19H,2-3,9,11H2,1H3,(H,20,21)