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

Systemtic Name: 2-[4-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]piperazin-1-yl]-1H-benzimidazole Openeye Name: 2-[4-[[1-(m-tolylsulfonyl)-2-piperidyl]methyl]piperazin-1-yl]-1H-benzimidazole CAS Name: 2-[4-[[1-(3-methylphenyl)sulfonyl-2-piperidinyl]methyl]-1-piperazinyl]-1H-benzimidazole IUPAC Name: 2-[4-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]piperazin-1-yl]-1H-benzimidazole Traditional Name: 2-[4-[[1-(m-tolylsulfonyl)-2-piperidyl]methyl]piperazino]-1H-benzimidazole Formula: C24H31N5O2S MolecularWeight: 453.60024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2CN3CCN(CC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2CN3CCN(CC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H31N5O2S/c1-19-7-6-9-21(17-19)32(30,31)29-12-5-4-8-20(29)18-27-13-15-28(16-14-27)24-25-22-10-2-3-11-23(22)26-24/h2-3,6-7,9-11,17,20H,4-5,8,12-16,18H2,1H3,(H,25,26)