1-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole

Systemtic Name: 1-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Openeye Name: 1-[[1-(4-ethoxyphenyl)sulfonyl-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole CAS Name: 1-[[1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]methyl]-2-(phenoxymethyl)benzimidazole IUPAC Name: 1-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Traditional Name: 2-(phenoxymethyl)-1-[(1-p-phenetylsulfonyl-4-piperidyl)methyl]benzimidazole Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3COC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3COC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O4S/c1-2-34-24-12-14-25(15-13-24)36(32,33)30-18-16-22(17-19-30)20-31-27-11-7-6-10-26(27)29-28(31)21-35-23-8-4-3-5-9-23/h3-15,22H,2,16-21H2,1H3