1-[[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole

Systemtic Name: 1-[[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Openeye Name: 1-[[1-(2,5-dimethylphenyl)sulfonyl-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole CAS Name: 1-[[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]methyl]-2-(phenoxymethyl)benzimidazole IUPAC Name: 1-[[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Traditional Name: 1-[[1-(2,5-dimethylphenyl)sulfonyl-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole Formula: C28H31N3O3S MolecularWeight: 489.62904

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3S/c1-21-12-13-22(2)27(18-21)35(32,33)30-16-14-23(15-17-30)19-31-26-11-7-6-10-25(26)29-28(31)20-34-24-8-4-3-5-9-24/h3-13,18,23H,14-17,19-20H2,1-2H3