1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-[(1-methyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-[(1-methylbenzimidazol-2-yl)thio]ethanone Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3C)C

InChI

InChI=1S/C22H26N4O3S2/c1-16-8-9-18(14-17(16)2)31(28,29)26-12-10-25(11-13-26)21(27)15-30-22-23-19-6-4-5-7-20(19)24(22)3/h4-9,14H,10-13,15H2,1-3H3