N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C13H14IN3O4S MolecularWeight: 435.23743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=NN(C=C2I)C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=NN(C=C2I)C

InChI

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