1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone Openeye Name: 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-2-[2-(methylsulfonylmethyl)-1-benzimidazolyl]ethanone IUPAC Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone Traditional Name: 2-[2-(mesylmethyl)benzimidazol-1-yl]-1-[4-(m-tolyl)piperazino]ethanone Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=C3CS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=C3CS(=O)(=O)C

InChI

InChI=1S/C22H26N4O3S/c1-17-6-5-7-18(14-17)24-10-12-25(13-11-24)22(27)15-26-20-9-4-3-8-19(20)23-21(26)16-30(2,28)29/h3-9,14H,10-13,15-16H2,1-2H3