2-methoxy-5-[[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[4-[methyl(p-tolylsulfonyl)amino]benzoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[4-[methyl(tosyl)amino]benzoyl]amino]methyl]benzoic acid Formula: C24H24N2O6S MolecularWeight: 468.52216

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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)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C24H24N2O6S/c1-16-4-11-20(12-5-16)33(30,31)26(2)19-9-7-18(8-10-19)23(27)25-15-17-6-13-22(32-3)21(14-17)24(28)29/h4-14H,15H2,1-3H3,(H,25,27)(H,28,29)