2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]terephthalic acid IUPAC Name: 2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]amino]terephthalic acid Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C)C

InChI

InChI=1S/C24H28N2O7S/c1-13-11-14(2)16(4)21(15(13)3)34(32,33)26-9-7-17(8-10-26)22(27)25-20-12-18(23(28)29)5-6-19(20)24(30)31/h5-6,11-12,17H,7-10H2,1-4H3,(H,25,27)(H,28,29)(H,30,31)