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

Systemtic Name: 2-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-butyl-3H-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(benzofuran-2-yl)-2-oxo-ethyl]sulfanyl-N-butyl-3H-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(2-benzofuranyl)-2-oxoethyl]thio]-N-butyl-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-butyl-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[[2-(benzofuran-2-yl)-2-keto-ethyl]thio]-N-butyl-3H-benzimidazole-5-sulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4S2/c1-2-3-10-22-30(26,27)15-8-9-16-17(12-15)24-21(23-16)29-13-18(25)20-11-14-6-4-5-7-19(14)28-20/h4-9,11-12,22H,2-3,10,13H2,1H3,(H,23,24)