4-[5-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-phenyl-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-phenyl-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-3-phenyl-pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-3-phenyl-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-(3,6-diketocyclohexa-1,4-dien-1-yl)-3-phenyl-pyrazol-1-yl]benzenesulfonamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C3=CC(=O)C=CC3=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C3=CC(=O)C=CC3=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H15N3O4S/c22-29(27,28)17-9-6-15(7-10-17)24-20(18-12-16(25)8-11-21(18)26)13-19(23-24)14-4-2-1-3-5-14/h1-13H,(H2,22,27,28)