2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1-methyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1-methyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-methylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-1-methyl-benzimidazole-5-sulfonamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N5O4S2/c1-24-19-8-7-17(32(22,28)29)13-18(19)23-21(24)31-14-20(27)26-11-9-25(10-12-26)15-3-5-16(30-2)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H2,22,28,29)