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

Systemtic Name: methyl 4-[2-[2-[2-(4-methylsulfonylphenyl)ethanoyl]-4-oxidanyl-piperidin-4-yl]ethylamino]benzoate Openeye Name: methyl 4-[2-[4-hydroxy-2-[2-(4-methylsulfonylphenyl)acetyl]-4-piperidyl]ethylamino]benzoate CAS Name: 4-[2-[4-hydroxy-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-4-piperidinyl]ethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-hydroxy-2-[2-(4-methylsulfonylphenyl)acetyl]piperidin-4-yl]ethylamino]benzoate Traditional Name: 4-[2-[4-hydroxy-2-[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(CCNC(C2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCCC2(CCNC(C2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)O

InChI

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