2-[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C21H26N4O4S2/c1-6-9-25-17-8-7-15(31(22,28)29)10-16(17)24-21(25)30-14(5)20(27)19-11(2)18(13(4)26)12(3)23-19/h7-8,10,14,23H,6,9H2,1-5H3,(H2,22,28,29)