[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-piperidinyl]methyl ester IUPAC Name: [1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-piperidyl]methyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)C3=CC=CC=C3OC)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)C3=CC=CC=C3OC)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H31NO5S/c1-21-11-13-24(14-12-21)34(29,30)33-20-27(22-7-6-8-23(19-22)31-2)15-17-28(18-16-27)25-9-4-5-10-26(25)32-3/h4-14,19H,15-18,20H2,1-3H3