2-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-fluoro-3-piperidinosulfonyl-benzoyl)amino]terephthalic acid Formula: C20H19FN2O7S MolecularWeight: 450.437463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)F

InChI

InChI=1S/C20H19FN2O7S/c21-15-7-5-12(11-17(15)31(29,30)23-8-2-1-3-9-23)18(24)22-16-10-13(19(25)26)4-6-14(16)20(27)28/h4-7,10-11H,1-3,8-9H2,(H,22,24)(H,25,26)(H,27,28)