4-(hydroxymethyl)-3-[(3E)-3-(3-iodanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzenesulfonamide

Systemtic Name: 4-(hydroxymethyl)-3-[(3E)-3-(3-iodanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzenesulfonamide Openeye Name: 4-(hydroxymethyl)-3-[(3E)-3-(3-iodo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzenesulfonamide CAS Name: 4-(hydroxymethyl)-3-[(3E)-3-(3-iodo-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrazol-2-yl]benzenesulfonamide IUPAC Name: 4-(hydroxymethyl)-3-[(3E)-3-(3-iodo-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-2-yl]benzenesulfonamide Traditional Name: 3-[(5E)-5-(3-iodo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-pyrazolin-1-yl]-4-methylol-benzenesulfonamide Formula: C16H14IN3O4S MolecularWeight: 471.26953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)N2C(=C3C=CC(=O)C(=C3)I)C=CN2)CO

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)N2/C(=C/3\C=CC(=O)C(=C3)I)/C=CN2)CO

InChI

InChI=1S/C16H14IN3O4S/c17-13-7-10(2-4-16(13)22)14-5-6-19-20(14)15-8-12(25(18,23)24)3-1-11(15)9-21/h1-8,19,21H,9H2,(H2,18,23,24)/b14-10+