N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanamide

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-3-(4-iodo-3-methyl-pyrazol-1-yl)propanamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-iodo-3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-3-(4-iodo-3-methyl-pyrazol-1-yl)propionamide Formula: C15H18IN3O4S MolecularWeight: 463.29059

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCN2C=C(C(=N2)C)I

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCN2C=C(C(=N2)C)I

InChI

InChI=1S/C15H18IN3O4S/c1-3-24(22,23)11-4-5-14(20)13(8-11)17-15(21)6-7-19-9-12(16)10(2)18-19/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,17,21)