[2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl] ester Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O8S/c1-5-23(6-2)33(29,30)16-9-7-14(3)17(12-16)22-20(25)13-32-21(26)15-8-10-19(31-4)18(11-15)24(27)28/h7-12H,5-6,13H2,1-4H3,(H,22,25)