4-[1-[[4-(4-fluorophenyl)phenyl]sulfonyl-methyl-amino]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[1-[[4-(4-fluorophenyl)phenyl]sulfonyl-methyl-amino]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-1-carboxylic acid Openeye Name: 4-[1-[[4-(4-fluorophenyl)phenyl]sulfonyl-methyl-amino]-2-hydroxy-2-oxo-ethyl]piperidine-1-carboxylic acid CAS Name: 4-[1-[[4-(4-fluorophenyl)phenyl]sulfonyl-methylamino]-2-hydroxy-2-oxoethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-[[4-(4-fluorophenyl)phenyl]sulfonyl-methylamino]-2-hydroxy-2-oxoethyl]piperidine-1-carboxylic acid Traditional Name: 4-[1-[[4-(4-fluorophenyl)phenyl]sulfonyl-methyl-amino]-2-hydroxy-2-keto-ethyl]piperidine-1-carboxylic acid Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1CCN(CC1)C(=O)O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C(C1CCN(CC1)C(=O)O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O6S/c1-23(19(20(25)26)16-10-12-24(13-11-16)21(27)28)31(29,30)18-8-4-15(5-9-18)14-2-6-17(22)7-3-14/h2-9,16,19H,10-13H2,1H3,(H,25,26)(H,27,28)