ethyl 5-(butylcarbamoylsulfamoyl)-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(butylcarbamoylsulfamoyl)-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(butylcarbamoylsulfamoyl)-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[butylamino(oxo)methyl]sulfamoyl]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butylcarbamoylsulfamoyl)-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-(butylcarbamoylsulfamoyl)-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C(=O)OCC

InChI

InChI=1S/C20H23N5O5S/c1-3-5-12-21-20(27)24-31(28,29)18-15(19(26)30-4-2)13-22-25(18)17-11-10-14-8-6-7-9-16(14)23-17/h6-11,13H,3-5,12H2,1-2H3,(H2,21,24,27)