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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C3C=CC(=O)C(=C3)I)C=C(N2)CO)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1N2/C(=C/3\C=CC(=O)C(=C3)I)/C=C(N2)CO)S(=O)(=O)N

InChI

InChI=1S/C16H14IN3O4S/c17-14-7-10(1-6-16(14)22)15-8-11(9-21)19-20(15)12-2-4-13(5-3-12)25(18,23)24/h1-8,19,21H,9H2,(H2,18,23,24)/b15-10+