4-[2-[1-[2-(4-methylsulfonylphenyl)ethyl]-4-oxidanyl-piperidin-4-yl]ethylamino]benzoic acid

Systemtic Name: 4-[2-[1-[2-(4-methylsulfonylphenyl)ethyl]-4-oxidanyl-piperidin-4-yl]ethylamino]benzoic acid Openeye Name: 4-[2-[4-hydroxy-1-[2-(4-methylsulfonylphenyl)ethyl]-4-piperidyl]ethylamino]benzoic acid CAS Name: 4-[2-[4-hydroxy-1-[2-(4-methylsulfonylphenyl)ethyl]-4-piperidinyl]ethylamino]benzoic acid IUPAC Name: 4-[2-[4-hydroxy-1-[2-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethylamino]benzoic acid Traditional Name: 4-[2-[4-hydroxy-1-[2-(4-mesylphenyl)ethyl]-4-piperidyl]ethylamino]benzoic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CCN2CCC(CC2)(CCNC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CCN2CCC(CC2)(CCNC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C23H30N2O5S/c1-31(29,30)21-8-2-18(3-9-21)10-15-25-16-12-23(28,13-17-25)11-14-24-20-6-4-19(5-7-20)22(26)27/h2-9,24,28H,10-17H2,1H3,(H,26,27)