[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: [2-[ethyl(2-methylallyl)amino]-2-oxo-ethyl] 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid [2-[ethyl(2-methylallyl)amino]-2-keto-ethyl] ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)COC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(=C)C)C(=O)COC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7S/c1-5-19(10-12(2)3)16(21)11-27-17(22)9-18-14-7-6-13(28(4,25)26)8-15(14)20(23)24/h6-8,18H,2,5,9-11H2,1,3-4H3