2-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-[methyl(p-tolylsulfonyl)amino]benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-[methyl(tosyl)amino]benzoyl]amino]terephthalic acid Formula: C23H20N2O7S MolecularWeight: 468.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C23H20N2O7S/c1-14-3-10-18(11-4-14)33(31,32)25(2)17-8-5-15(6-9-17)21(26)24-20-13-16(22(27)28)7-12-19(20)23(29)30/h3-13H,1-2H3,(H,24,26)(H,27,28)(H,29,30)