2-[[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(4-acetylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(4-acetylphenyl)sulfonylisonipecotoyl]amino]terephthalic acid Formula: C22H22N2O8S MolecularWeight: 474.48368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O8S/c1-13(25)14-2-5-17(6-3-14)33(31,32)24-10-8-15(9-11-24)20(26)23-19-12-16(21(27)28)4-7-18(19)22(29)30/h2-7,12,15H,8-11H2,1H3,(H,23,26)(H,27,28)(H,29,30)