2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylisonipecotoyl]amino]terephthalic acid Formula: C22H24N2O9S MolecularWeight: 492.49896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C22H24N2O9S/c1-32-18-6-4-15(12-19(18)33-2)34(30,31)24-9-7-13(8-10-24)20(25)23-17-11-14(21(26)27)3-5-16(17)22(28)29/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)