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

Systemtic Name: 2-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-keto-2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C(=C3)C)C(C)COC)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C(=C3)C)C(C)COC)C

InChI

InChI=1S/C22H30N4O4S2/c1-6-9-25-20-8-7-17(32(23,28)29)11-19(20)24-22(25)31-13-21(27)18-10-14(2)26(16(18)4)15(3)12-30-5/h7-8,10-11,15H,6,9,12-13H2,1-5H3,(H2,23,28,29)