ethyl 5-[(4-iodophenyl)sulfonylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-iodophenyl)sulfonylamino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-iodophenyl)sulfonylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[(4-iodophenyl)sulfonylamino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-iodophenyl)sulfonylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(4-iodophenyl)sulfonylamino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C12H12IN3O4S MolecularWeight: 421.21085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C12H12IN3O4S/c1-2-20-12(17)10-7-14-15-11(10)16-21(18,19)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15,16)