[4-[2-[3-oxidanyl-4-(phenylmethyl)piperidin-1-yl]ethylsulfonyl]phenyl] benzoate

Systemtic Name: [4-[2-[3-oxidanyl-4-(phenylmethyl)piperidin-1-yl]ethylsulfonyl]phenyl] benzoate Openeye Name: [4-[2-(4-benzyl-3-hydroxy-1-piperidyl)ethylsulfonyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[3-hydroxy-4-(phenylmethyl)-1-piperidinyl]ethylsulfonyl]phenyl] ester IUPAC Name: [4-[2-(4-benzyl-3-hydroxypiperidin-1-yl)ethylsulfonyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-(4-benzyl-3-hydroxy-piperidino)ethylsulfonyl]phenyl] ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CC2=CC=CC=C2)O)CCS(=O)(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(C1CC2=CC=CC=C2)O)CCS(=O)(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29NO5S/c29-26-20-28(16-15-23(26)19-21-7-3-1-4-8-21)17-18-34(31,32)25-13-11-24(12-14-25)33-27(30)22-9-5-2-6-10-22/h1-14,23,26,29H,15-20H2