4-[4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[[4-(2-hydroxy-2-oxo-1-phenyl-ethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 4-[[4-(2-hydroxy-2-oxo-1-phenylethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-(2-hydroxy-2-oxo-1-phenylethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-(2-hydroxy-2-keto-1-phenyl-ethyl)piperidino]sulfonylbenzoic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H21NO6S/c22-19(23)16-6-8-17(9-7-16)28(26,27)21-12-10-15(11-13-21)18(20(24)25)14-4-2-1-3-5-14/h1-9,15,18H,10-13H2,(H,22,23)(H,24,25)