ethyl 3-[(3-iodanylphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(3-iodanylphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(3-iodophenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate CAS Name: 3-[(3-iodophenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-iodophenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate Traditional Name: 3-[(3-iodophenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C13H14IN3O4S MolecularWeight: 435.23743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1S(=O)(=O)NC2=CC(=CC=C2)I)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1S(=O)(=O)NC2=CC(=CC=C2)I)C

InChI

InChI=1S/C13H14IN3O4S/c1-3-21-13(18)11-8(2)15-16-12(11)22(19,20)17-10-6-4-5-9(14)7-10/h4-7,17H,3H2,1-2H3,(H,15,16)