2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]-2-methyl-phenyl]acetic acid CAS Name: 2-[3-[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylphenyl]acetic acid Traditional Name: 2-[3-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]-2-methyl-phenyl]acetic acid Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CC(=O)O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1CC(=O)O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO4S/c1-14-15(12-20(23)24)4-2-6-19(14)16-5-3-11-22(13-16)27(25,26)18-9-7-17(21)8-10-18/h2,4,6-10,16H,3,5,11-13H2,1H3,(H,23,24)