2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(4-fluorophenyl)sulfonylnipecotoyl]amino]terephthalic acid Formula: C20H19FN2O7S MolecularWeight: 450.437463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H19FN2O7S/c21-14-4-6-15(7-5-14)31(29,30)23-9-1-2-13(11-23)18(24)22-17-10-12(19(25)26)3-8-16(17)20(27)28/h3-8,10,13H,1-2,9,11H2,(H,22,24)(H,25,26)(H,27,28)