3-methyl-4-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]benzoic acid CAS Name: 3-methyl-4-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[2-[methyl(tosyl)amino]acetyl]amino]benzoic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C18H20N2O5S/c1-12-4-7-15(8-5-12)26(24,25)20(3)11-17(21)19-16-9-6-14(18(22)23)10-13(16)2/h4-10H,11H2,1-3H3,(H,19,21)(H,22,23)