methyl 2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]sulfonylbenzoate Openeye Name: methyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-(3,5-dimethoxybenzyl)-4-piperidyl]sulfonyl]benzoic acid methyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCC(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCC(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C22H27NO6S/c1-27-17-12-16(13-18(14-17)28-2)15-23-10-8-19(9-11-23)30(25,26)21-7-5-4-6-20(21)22(24)29-3/h4-7,12-14,19H,8-11,15H2,1-3H3