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

Systemtic Name: ethyl 4-methyl-3-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-5-30-20(25)15-8-6-13(2)17(10-15)21-19(24)12-22(31(4,28)29)18-11-16(23(26)27)9-7-14(18)3/h6-11H,5,12H2,1-4H3,(H,21,24)