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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCCC(C2)C3=CC(=CC=C3)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCCC(C2)C3=CC(=CC=C3)CC(=O)O

InChI

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