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

Systemtic Name: methyl 4-[2-[1-[2-(4-methylsulfonylphenyl)ethanoyl]-4-oxidanyl-piperidin-4-yl]ethylamino]benzoate Openeye Name: methyl 4-[2-[4-hydroxy-1-[2-(4-methylsulfonylphenyl)acetyl]-4-piperidyl]ethylamino]benzoate CAS Name: 4-[2-[4-hydroxy-1-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-4-piperidinyl]ethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-hydroxy-1-[2-(4-methylsulfonylphenyl)acetyl]piperidin-4-yl]ethylamino]benzoate Traditional Name: 4-[2-[4-hydroxy-1-[2-(4-mesylphenyl)acetyl]-4-piperidyl]ethylamino]benzoic acid methyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCCC2(CCN(CC2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCCC2(CCN(CC2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C24H30N2O6S/c1-32-23(28)19-5-7-20(8-6-19)25-14-11-24(29)12-15-26(16-13-24)22(27)17-18-3-9-21(10-4-18)33(2,30)31/h3-10,25,29H,11-17H2,1-2H3