[2-methyl-1-[2-[4-(phenylmethyl)phenoxy]ethanoyl]piperidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-1-[2-[4-(phenylmethyl)phenoxy]ethanoyl]piperidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [1-[2-(4-benzylphenoxy)acetyl]-2-methyl-4-piperidyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-1-[1-oxo-2-[4-(phenylmethyl)phenoxy]ethyl]-4-piperidinyl] ester IUPAC Name: [1-[2-(4-benzylphenoxy)acetyl]-2-methylpiperidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[2-(4-benzylphenoxy)acetyl]-2-methyl-4-piperidyl] ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1C(=O)COC2=CC=C(C=C2)CC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CC(CCN1C(=O)COC2=CC=C(C=C2)CC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H31NO5S/c1-21-8-14-27(15-9-21)35(31,32)34-26-16-17-29(22(2)18-26)28(30)20-33-25-12-10-24(11-13-25)19-23-6-4-3-5-7-23/h3-15,22,26H,16-20H2,1-2H3