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

Systemtic Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-1-methyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-1-methylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-1-methyl-benzimidazole-5-sulfonamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N)C

InChI

InChI=1S/C18H22N4O3S2/c1-5-22-11(2)8-14(12(22)3)17(23)10-26-18-20-15-9-13(27(19,24)25)6-7-16(15)21(18)4/h6-9H,5,10H2,1-4H3,(H2,19,24,25)