methyl 4,5-dimethoxy-2-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(N-mesyl-2-methyl-5-nitro-anilino)acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H23N3O9S MolecularWeight: 481.47632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O9S/c1-12-6-7-13(23(26)27)8-16(12)22(33(5,28)29)11-19(24)21-15-10-18(31-3)17(30-2)9-14(15)20(25)32-4/h6-10H,11H2,1-5H3,(H,21,24)