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

Systemtic Name: 2-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-keto-2-[1-(3-methoxypropyl)-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)CCCOC)C

Isomeric SMILES

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

InChI

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