2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]terephthalic acid IUPAC Name: 2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[(1-mesitylsulfonylisonipecotoyl)amino]terephthalic acid Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C23H26N2O7S/c1-13-10-14(2)20(15(3)11-13)33(31,32)25-8-6-16(7-9-25)21(26)24-19-12-17(22(27)28)4-5-18(19)23(29)30/h4-5,10-12,16H,6-9H2,1-3H3,(H,24,26)(H,27,28)(H,29,30)