4-[(3E)-5-(4-chlorophenyl)-3-(3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzenesulfonamide

Systemtic Name: 4-[(3E)-5-(4-chlorophenyl)-3-(3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzenesulfonamide Openeye Name: 4-[(3E)-5-(4-chlorophenyl)-3-(3-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzenesulfonamide CAS Name: 4-[(3E)-5-(4-chlorophenyl)-3-(3-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazol-2-yl]benzenesulfonamide IUPAC Name: 4-[(3E)-5-(4-chlorophenyl)-3-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzenesulfonamide Traditional Name: 4-[(5E)-3-(4-chlorophenyl)-5-(3-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-1-yl]benzenesulfonamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C3C=C(C=CC3=O)O)N(N2)C4=CC=C(C=C4)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C/C(=C\3/C=C(C=CC3=O)O)/N(N2)C4=CC=C(C=C4)S(=O)(=O)N)Cl

InChI

InChI=1S/C21H16ClN3O4S/c22-14-3-1-13(2-4-14)19-12-20(18-11-16(26)7-10-21(18)27)25(24-19)15-5-8-17(9-6-15)30(23,28)29/h1-12,24,26H,(H2,23,28,29)/b20-18+