methyl 4-[2-[1-[2-(4-methylsulfonylphenyl)ethyl]-4-oxidanyl-piperidin-4-yl]ethylamino]benzoate

Systemtic Name: methyl 4-[2-[1-[2-(4-methylsulfonylphenyl)ethyl]-4-oxidanyl-piperidin-4-yl]ethylamino]benzoate Openeye Name: methyl 4-[2-[4-hydroxy-1-[2-(4-methylsulfonylphenyl)ethyl]-4-piperidyl]ethylamino]benzoate CAS Name: 4-[2-[4-hydroxy-1-[2-(4-methylsulfonylphenyl)ethyl]-4-piperidinyl]ethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-hydroxy-1-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethylamino]benzoate Traditional Name: 4-[2-[4-hydroxy-1-[2-(4-mesylphenyl)ethyl]-4-piperidyl]ethylamino]benzoic acid methyl ester Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCCC2(CCN(CC2)CCC3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCCC2(CCN(CC2)CCC3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C24H32N2O5S/c1-31-23(27)20-5-7-21(8-6-20)25-15-12-24(28)13-17-26(18-14-24)16-11-19-3-9-22(10-4-19)32(2,29)30/h3-10,25,28H,11-18H2,1-2H3