4-[(4Z)-4-[(3-methoxy-4-phenethyloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-4-[(3-methoxy-4-phenethyloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[(3-methoxy-4-phenethyloxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-4-[(3-methoxy-4-phenethyloxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-4-[(3-methoxy-4-phenethyloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-5-keto-4-(3-methoxy-4-phenethyloxy-benzylidene)-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C26H24N2O6S MolecularWeight: 492.54356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C26H24N2O6S/c1-18-23(26(29)28(27-18)21-9-11-22(12-10-21)35(30,31)32)16-20-8-13-24(25(17-20)33-2)34-15-14-19-6-4-3-5-7-19/h3-13,16-17H,14-15H2,1-2H3,(H,30,31,32)/b23-16-