ethyl 5-[butylcarbamoyl(isoquinolin-1-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[butylcarbamoyl(isoquinolin-1-yl)sulfamoyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[butylcarbamoyl(1-isoquinolyl)sulfamoyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[[butylamino(oxo)methyl]-(1-isoquinolinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[butylcarbamoyl(isoquinolin-1-yl)sulfamoyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[butylcarbamoyl(1-isoquinolyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C20H23N5O5S MolecularWeight: 445.49212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C1=NC=CC2=CC=CC=C21)S(=O)(=O)C3=C(C=NN3)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)N(C1=NC=CC2=CC=CC=C21)S(=O)(=O)C3=C(C=NN3)C(=O)OCC

InChI

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