ethyl 2-[(2-methyl-5-nitro-phenyl)-(phenylsulfonyl)amino]propanoate

Systemtic Name: ethyl 2-[(2-methyl-5-nitro-phenyl)-(phenylsulfonyl)amino]propanoate Openeye Name: ethyl 2-[N-(benzenesulfonyl)-2-methyl-5-nitro-anilino]propanoate CAS Name: 2-[N-(benzenesulfonyl)-2-methyl-5-nitroanilino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[N-(benzenesulfonyl)-2-methyl-5-nitroanilino]propanoate Traditional Name: 2-(N-besyl-2-methyl-5-nitro-anilino)propionic acid ethyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-4-26-18(21)14(3)19(27(24,25)16-8-6-5-7-9-16)17-12-15(20(22)23)11-10-13(17)2/h5-12,14H,4H2,1-3H3