2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylisonipecotoyl]amino]terephthalic acid Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H21N3O8S/c1-10-16(11(2)30-21-10)31(28,29)22-7-5-12(6-8-22)17(23)20-15-9-13(18(24)25)3-4-14(15)19(26)27/h3-4,9,12H,5-8H2,1-2H3,(H,20,23)(H,24,25)(H,26,27)