ethyl 5-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-sulfamoyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C17H22N4O5S/c1-5-26-17(23)13-9-18-20-16(13)27(24,25)21(4)10-14(22)19-15-11(2)7-6-8-12(15)3/h6-9H,5,10H2,1-4H3,(H,18,20)(H,19,22)