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

Systemtic Name: 2-[3-acetamido-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-acetamido-5-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-acetamido-5-[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-acetamido-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[3-acetamido-5-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]phenyl]acetic acid Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)CC(=O)O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)CC(=O)O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O5S/c1-14(25)23-19-10-15(11-21(26)27)9-17(12-19)16-3-2-8-24(13-16)30(28,29)20-6-4-18(22)5-7-20/h4-7,9-10,12,16H,2-3,8,11,13H2,1H3,(H,23,25)(H,26,27)