2-[(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(2-fluoro-5-morpholinosulfonyl-benzoyl)amino]terephthalic acid CAS Name: 2-[[[2-fluoro-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(2-fluoro-5-morpholinosulfonyl-benzoyl)amino]terephthalic acid Formula: C19H17FN2O8S MolecularWeight: 452.410283

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H17FN2O8S/c20-15-4-2-12(31(28,29)22-5-7-30-8-6-22)10-14(15)17(23)21-16-9-11(18(24)25)1-3-13(16)19(26)27/h1-4,9-10H,5-8H2,(H,21,23)(H,24,25)(H,26,27)