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

Systemtic Name: 2-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]thio]-1-methyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-1-methylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-1-methyl-benzimidazole-5-sulfonamide Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C19H24N4O3S2/c1-11(2)23-12(3)8-15(13(23)4)18(24)10-27-19-21-16-9-14(28(20,25)26)6-7-17(16)22(19)5/h6-9,11H,10H2,1-5H3,(H2,20,25,26)