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

Systemtic Name: 2-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(4-tert-butylphenyl)sulfonylisonipecotoyl]amino]terephthalic acid Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)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(C)(C)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/C24H28N2O7S/c1-24(2,3)17-5-7-18(8-6-17)34(32,33)26-12-10-15(11-13-26)21(27)25-20-14-16(22(28)29)4-9-19(20)23(30)31/h4-9,14-15H,10-13H2,1-3H3,(H,25,27)(H,28,29)(H,30,31)