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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H19FN2O7S/c21-15-3-1-2-4-17(15)31(29,30)23-9-7-12(8-10-23)18(24)22-16-11-13(19(25)26)5-6-14(16)20(27)28/h1-6,11-12H,7-10H2,(H,22,24)(H,25,26)(H,27,28)