4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[(4Z)-5-keto-4-piperonylidene-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzenesulfonamide Formula: C18H12F3N3O5S MolecularWeight: 439.36519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C18H12F3N3O5S/c19-18(20,21)16-13(7-10-1-6-14-15(8-10)29-9-28-14)17(25)24(23-16)11-2-4-12(5-3-11)30(22,26)27/h1-8H,9H2,(H2,22,26,27)/b13-7-