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

Systemtic Name: 2-methoxy-4-[methyl-(4-methylphenyl)sulfonyl-amino]-5-nitro-benzoic acid Openeye Name: 2-methoxy-4-[methyl(p-tolylsulfonyl)amino]-5-nitro-benzoic acid CAS Name: 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]-5-nitrobenzoic acid IUPAC Name: 2-methoxy-4-[methyl-(4-methylphenyl)sulfonylamino]-5-nitrobenzoic acid Traditional Name: 2-methoxy-4-[methyl(tosyl)amino]-5-nitro-benzoic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C(=C2)OC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C(=C2)OC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O7S/c1-10-4-6-11(7-5-10)26(23,24)17(2)13-9-15(25-3)12(16(19)20)8-14(13)18(21)22/h4-9H,1-3H3,(H,19,20)