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

Systemtic Name: 2-[3-azanyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-amino-5-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-amino-5-[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-amino-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[3-amino-5-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]phenyl]acetic acid Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=CC(=CC(=C3)N)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=CC(=CC(=C3)N)CC(=O)O

InChI

InChI=1S/C19H21FN2O4S/c20-16-3-5-18(6-4-16)27(25,26)22-7-1-2-14(12-22)15-8-13(10-19(23)24)9-17(21)11-15/h3-6,8-9,11,14H,1-2,7,10,12,21H2,(H,23,24)