2-[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]terephthalic acid CAS Name: 2-[[[(2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]terephthalic acid Traditional Name: 2-[[(2S)-1-(2-fluorophenyl)sulfonylprolyl]amino]terephthalic acid Formula: C19H17FN2O7S MolecularWeight: 436.410883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H17FN2O7S/c20-13-4-1-2-6-16(13)30(28,29)22-9-3-5-15(22)17(23)21-14-10-11(18(24)25)7-8-12(14)19(26)27/h1-2,4,6-8,10,15H,3,5,9H2,(H,21,23)(H,24,25)(H,26,27)/t15-/m0/s1