methyl 4-methyl-3-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-2-methyl-5-nitro-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S/c1-12-5-7-14(19(24)29-3)9-16(12)20-18(23)11-21(30(4,27)28)17-10-15(22(25)26)8-6-13(17)2/h5-10H,11H2,1-4H3,(H,20,23)