2-(phenoxymethyl)-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole

Systemtic Name: 2-(phenoxymethyl)-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole Openeye Name: 2-(phenoxymethyl)-1-[[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidyl]methyl]benzimidazole CAS Name: 2-(phenoxymethyl)-1-[[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]benzimidazole IUPAC Name: 2-(phenoxymethyl)-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzimidazole Traditional Name: 1-[(1-mesitylsulfonyl-4-piperidyl)methyl]-2-(phenoxymethyl)benzimidazole Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3COC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3COC5=CC=CC=C5)C

InChI

InChI=1S/C29H33N3O3S/c1-21-17-22(2)29(23(3)18-21)36(33,34)31-15-13-24(14-16-31)19-32-27-12-8-7-11-26(27)30-28(32)20-35-25-9-5-4-6-10-25/h4-12,17-18,24H,13-16,19-20H2,1-3H3