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

Systemtic Name: 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]-5-methyl-phenyl]acetic acid CAS Name: 2-[3-[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-5-methylphenyl]acetic acid IUPAC Name: 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methylphenyl]acetic acid Traditional Name: 2-[3-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]-5-methyl-phenyl]acetic acid Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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