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

Systemtic Name: 2-[[1-(3-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(3-acetylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(3-acetylphenyl)sulfonylisonipecotoyl]amino]terephthalic acid Formula: C22H22N2O8S MolecularWeight: 474.48368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=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(=CC=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)15-3-2-4-17(11-15)33(31,32)24-9-7-14(8-10-24)20(26)23-19-12-16(21(27)28)5-6-18(19)22(29)30/h2-6,11-12,14H,7-10H2,1H3,(H,23,26)(H,27,28)(H,29,30)