1-[[1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-methyl-benzimidazole

Systemtic Name: 1-[[1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-methyl-benzimidazole Openeye Name: 1-[[1-(4-methoxy-3-methyl-phenyl)sulfonyl-4-piperidyl]methyl]-2-methyl-benzimidazole CAS Name: 1-[[1-(4-methoxy-3-methylphenyl)sulfonyl-4-piperidinyl]methyl]-2-methylbenzimidazole IUPAC Name: 1-[[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]methyl]-2-methylbenzimidazole Traditional Name: 1-[[1-(4-methoxy-3-methyl-phenyl)sulfonyl-4-piperidyl]methyl]-2-methyl-benzimidazole Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)CN3C(=NC4=CC=CC=C43)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)CN3C(=NC4=CC=CC=C43)C)OC

InChI

InChI=1S/C22H27N3O3S/c1-16-14-19(8-9-22(16)28-3)29(26,27)24-12-10-18(11-13-24)15-25-17(2)23-20-6-4-5-7-21(20)25/h4-9,14,18H,10-13,15H2,1-3H3