3-[[(E)-[3-(3,4-dimethoxyphenyl)-5-oxidanylidene-1H-pyrazol-4-ylidene]methyl]amino]benzenesulfonamide

Systemtic Name: 3-[[(E)-[3-(3,4-dimethoxyphenyl)-5-oxidanylidene-1H-pyrazol-4-ylidene]methyl]amino]benzenesulfonamide Openeye Name: 3-[[(E)-[3-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazol-4-ylidene]methyl]amino]benzenesulfonamide CAS Name: 3-[[(E)-[3-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazol-4-ylidene]methyl]amino]benzenesulfonamide IUPAC Name: 3-[[(E)-[3-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazol-4-ylidene]methyl]amino]benzenesulfonamide Traditional Name: 3-[[(E)-[3-(3,4-dimethoxyphenyl)-5-keto-2-pyrazolin-4-ylidene]methyl]amino]benzenesulfonamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=O)C2=CNC3=CC(=CC=C3)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C\2=NNC(=O)/C2=C/NC3=CC(=CC=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C18H18N4O5S/c1-26-15-7-6-11(8-16(15)27-2)17-14(18(23)22-21-17)10-20-12-4-3-5-13(9-12)28(19,24)25/h3-10,20H,1-2H3,(H,22,23)(H2,19,24,25)/b14-10+