[4-[4-[oxidanyl(phenyl)methyl]piperidin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[4-[oxidanyl(phenyl)methyl]piperidin-1-yl]carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-[hydroxy(phenyl)methyl]-1-piperidinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl] ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(C4=CC=CC=C4)O

InChI

InChI=1S/C27H29NO5S/c1-19-8-9-20(2)25(18-19)34(31,32)33-24-12-10-23(11-13-24)27(30)28-16-14-22(15-17-28)26(29)21-6-4-3-5-7-21/h3-13,18,22,26,29H,14-17H2,1-2H3