2-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]-2-methyl-phenyl]acetic acid CAS Name: 2-[5-[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylphenyl]acetic acid Traditional Name: 2-[5-[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=C(C=C1)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)CC(=O)O

InChI

InChI=1S/C20H22FNO4S/c1-14-4-5-15(11-17(14)12-20(23)24)16-3-2-10-22(13-16)27(25,26)19-8-6-18(21)7-9-19/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,24)