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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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