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

Systemtic Name: 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]-1-methyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1-methylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]thio]-1-methyl-benzimidazole-5-sulfonamide Formula: C21H22N4O3S3 MolecularWeight: 474.61938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NC4=C(N3C)C=CC(=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NC4=C(N3C)C=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C21H22N4O3S3/c1-13-9-17(14(2)25(13)11-15-5-4-8-29-15)20(26)12-30-21-23-18-10-16(31(22,27)28)6-7-19(18)24(21)3/h4-10H,11-12H2,1-3H3,(H2,22,27,28)