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

Systemtic Name: 2-[[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(4-isopropylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[oxo-[1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinyl]methyl]amino]terephthalic acid IUPAC Name: 2-[[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[(1-p-cumenylsulfonylisonipecotoyl)amino]terephthalic acid Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C23H26N2O7S/c1-14(2)15-3-6-18(7-4-15)33(31,32)25-11-9-16(10-12-25)21(26)24-20-13-17(22(27)28)5-8-19(20)23(29)30/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)