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

Systemtic Name: 1-[4-[(4-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-methoxy-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(4-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-methoxy-piperidine-3-carboxylic acid CAS Name: 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-methoxy-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-methoxypiperidine-3-carboxylic acid Traditional Name: 1-[4-(4-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-3-methoxy-nipecotic acid Formula: C21H24FNO6S MolecularWeight: 437.481763

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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)(C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO6S/c1-15-12-17(22)5-4-16(15)13-29-18-6-8-19(9-7-18)30(26,27)23-11-3-10-21(14-23,28-2)20(24)25/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,24,25)