(3E)-N-butyl-3-[2-(2-chlorophenyl)-1H-pyrazol-3-ylidene]-N-methyl-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonamide

Systemtic Name: (3E)-N-butyl-3-[2-(2-chlorophenyl)-1H-pyrazol-3-ylidene]-N-methyl-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonamide Openeye Name: (3E)-N-butyl-3-[2-(2-chlorophenyl)-1H-pyrazol-3-ylidene]-6-hydroxy-N-methyl-4-oxo-cyclohexa-1,5-diene-1-sulfonamide CAS Name: (3E)-N-butyl-3-[2-(2-chlorophenyl)-1H-pyrazol-3-ylidene]-6-hydroxy-N-methyl-4-oxo-1-cyclohexa-1,5-dienesulfonamide IUPAC Name: (3E)-N-butyl-3-[2-(2-chlorophenyl)-1H-pyrazol-3-ylidene]-6-hydroxy-N-methyl-4-oxocyclohexa-1,5-diene-1-sulfonamide Traditional Name: (3E)-N-butyl-3-[2-(2-chlorophenyl)-3-pyrazolin-3-ylidene]-6-hydroxy-4-keto-N-methyl-cyclohexa-1,5-diene-1-sulfonamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC(=C2C=CNN2C3=CC=CC=C3Cl)C(=O)C=C1O

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=C/C(=C\2/C=CNN2C3=CC=CC=C3Cl)/C(=O)C=C1O

InChI

InChI=1S/C20H22ClN3O4S/c1-3-4-11-23(2)29(27,28)20-12-14(18(25)13-19(20)26)16-9-10-22-24(16)17-8-6-5-7-15(17)21/h5-10,12-13,22,26H,3-4,11H2,1-2H3/b16-14+