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

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[(1-tosylisonipecotoyl)amino]terephthalic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=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/C21H22N2O7S/c1-13-2-5-16(6-3-13)31(29,30)23-10-8-14(9-11-23)19(24)22-18-12-15(20(25)26)4-7-17(18)21(27)28/h2-7,12,14H,8-11H2,1H3,(H,22,24)(H,25,26)(H,27,28)