2-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl]thio]-1-methyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1-methylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl]thio]-1-methyl-benzimidazole-5-sulfonamide Formula: C22H24N4O3S3 MolecularWeight: 488.64596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CSC3=NC4=C(N3C)C=CC(=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CSC3=NC4=C(N3C)C=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C22H24N4O3S3/c1-14-11-18(15(2)26(14)9-8-16-5-4-10-30-16)21(27)13-31-22-24-19-12-17(32(23,28)29)6-7-20(19)25(22)3/h4-7,10-12H,8-9,13H2,1-3H3,(H2,23,28,29)