2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]terephthalic acid CAS Name: 2-[[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]terephthalic acid Traditional Name: 2-[[(2S)-1-tosylprolyl]amino]terephthalic acid Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H20N2O7S/c1-12-4-7-14(8-5-12)30(28,29)22-10-2-3-17(22)18(23)21-16-11-13(19(24)25)6-9-15(16)20(26)27/h4-9,11,17H,2-3,10H2,1H3,(H,21,23)(H,24,25)(H,26,27)/t17-/m0/s1