[2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl] ester Formula: C18H21N3O7S2 MolecularWeight: 455.50524

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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(S2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O7S2/c1-4-20(5-2)30(26,27)13-7-6-12(3)14(10-13)19-16(22)11-28-18(23)15-8-9-17(29-15)21(24)25/h6-10H,4-5,11H2,1-3H3,(H,19,22)