4-[5-(4-chlorophenyl)-3-cyclohexa-1,3-dien-1-yl-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-chlorophenyl)-3-cyclohexa-1,3-dien-1-yl-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-(4-chlorophenyl)-3-cyclohexa-1,3-dien-1-yl-pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(4-chlorophenyl)-3-(1-cyclohexa-1,3-dienyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(4-chlorophenyl)-3-cyclohexa-1,3-dien-1-ylpyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-(4-chlorophenyl)-3-cyclohexa-1,3-dien-1-yl-pyrazol-1-yl]benzenesulfonamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CC(=CC=C1)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H18ClN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27/h1-2,4,6-14H,3,5H2,(H2,23,26,27)