2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[1-(m-tolyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 2-[[1-(3-methylphenyl)-2-benzimidazolyl]thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-mesylpiperazino)-2-[[1-(m-tolyl)benzimidazol-2-yl]thio]ethanone Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)S(=O)(=O)C

InChI

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