4-[methyl-[3-(4-methylsulfonylphenyl)-1-(4-oxidanylpiperidin-4-yl)propyl]amino]benzoic acid

Systemtic Name: 4-[methyl-[3-(4-methylsulfonylphenyl)-1-(4-oxidanylpiperidin-4-yl)propyl]amino]benzoic acid Openeye Name: 4-[[1-(4-hydroxy-4-piperidyl)-3-(4-methylsulfonylphenyl)propyl]-methyl-amino]benzoic acid CAS Name: 4-[[1-(4-hydroxy-4-piperidinyl)-3-(4-methylsulfonylphenyl)propyl]-methylamino]benzoic acid IUPAC Name: 4-[[1-(4-hydroxypiperidin-4-yl)-3-(4-methylsulfonylphenyl)propyl]-methylamino]benzoic acid Traditional Name: 4-[[1-(4-hydroxy-4-piperidyl)-3-(4-mesylphenyl)propyl]-methyl-amino]benzoic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)O)C(CCC2=CC=C(C=C2)S(=O)(=O)C)C3(CCNCC3)O

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)O)C(CCC2=CC=C(C=C2)S(=O)(=O)C)C3(CCNCC3)O

InChI

InChI=1S/C23H30N2O5S/c1-25(19-8-6-18(7-9-19)22(26)27)21(23(28)13-15-24-16-14-23)12-5-17-3-10-20(11-4-17)31(2,29)30/h3-4,6-11,21,24,28H,5,12-16H2,1-2H3,(H,26,27)