1-butyl-2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C25H27FN4O3S2 MolecularWeight: 514.635283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4F)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4F)C

InChI

InChI=1S/C25H27FN4O3S2/c1-4-5-12-29-23-11-10-18(35(27,32)33)14-21(23)28-25(29)34-15-24(31)19-13-16(2)30(17(19)3)22-9-7-6-8-20(22)26/h6-11,13-14H,4-5,12,15H2,1-3H3,(H2,27,32,33)