[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(4-morpholin-4-yl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(4-morpholin-4-yl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-[(4-morpholino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(4-morpholinyl)-3-nitrophenyl]sulfonylamino]acetic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(4-morpholin-4-yl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-morpholino-3-nitro-phenyl)sulfonylamino]acetic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O8S/c1-15-3-4-16(2)18(11-15)21(26)14-33-22(27)13-23-34(30,31)17-5-6-19(20(12-17)25(28)29)24-7-9-32-10-8-24/h3-6,11-12,23H,7-10,13-14H2,1-2H3