2-[1-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]piperidin-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]piperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-[[1-(m-tolylsulfonyl)-2-piperidyl]methyl]-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-[[1-(3-methylphenyl)sulfonyl-2-piperidinyl]methyl]-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]piperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-[[1-(m-tolylsulfonyl)-2-piperidyl]methyl]-4-piperidyl]-1H-benzimidazole Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2CN3CCC(CC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2CN3CCC(CC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H32N4O2S/c1-19-7-6-9-22(17-19)32(30,31)29-14-5-4-8-21(29)18-28-15-12-20(13-16-28)25-26-23-10-2-3-11-24(23)27-25/h2-3,6-7,9-11,17,20-21H,4-5,8,12-16,18H2,1H3,(H,26,27)