1-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole

Systemtic Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Openeye Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole CAS Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]methyl]-2-(phenoxymethyl)benzimidazole IUPAC Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Traditional Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3COC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3COC5=CC=CC=C5)OC

InChI

InChI=1S/C28H31N3O5S/c1-34-26-13-12-23(18-27(26)35-2)37(32,33)30-16-14-21(15-17-30)19-31-25-11-7-6-10-24(25)29-28(31)20-36-22-8-4-3-5-9-22/h3-13,18,21H,14-17,19-20H2,1-2H3