1-[4-[(4-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-oxidanyl-2-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[(4-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-oxidanyl-2-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(4-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2-oxo-piperidine-3-carboxylic acid CAS Name: 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2-oxo-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2-oxopiperidine-3-carboxylic acid Traditional Name: 1-[4-(4-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-3-hydroxy-2-keto-nipecotic acid Formula: C20H20FNO7S MolecularWeight: 437.438703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3=O)(C(=O)O)O

InChI

InChI=1S/C20H20FNO7S/c1-13-11-15(21)4-3-14(13)12-29-16-5-7-17(8-6-16)30(27,28)22-10-2-9-20(26,18(22)23)19(24)25/h3-8,11,26H,2,9-10,12H2,1H3,(H,24,25)