2-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]amino]terephthalic acid CAS Name: 2-[[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]amino]terephthalic acid Traditional Name: 2-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)prolyl]amino]terephthalic acid Formula: C21H20N2O9S MolecularWeight: 476.4565

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NC4=C(C=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NC4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C21H20N2O9S/c24-19(22-15-10-12(20(25)26)3-5-14(15)21(27)28)16-2-1-7-23(16)33(29,30)13-4-6-17-18(11-13)32-9-8-31-17/h3-6,10-11,16H,1-2,7-9H2,(H,22,24)(H,25,26)(H,27,28)/t16-/m0/s1