2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O3S2/c1-15-7-8-16(2)19(13-15)30(27,28)25-11-9-24(10-12-25)20(26)14-29-21-22-17-5-3-4-6-18(17)23-21/h3-8,13H,9-12,14H2,1-2H3,(H,22,23)