methylamino 4-[(4Z)-3-(methylcarbamoyl)-4-[(4-methylsulfinamoyloxyphenyl)hydrazinylidene]-5-oxidanylidene-3H-pyrazol-1-ium-1-yl]benzenesulfinate

Systemtic Name: methylamino 4-[(4Z)-3-(methylcarbamoyl)-4-[(4-methylsulfinamoyloxyphenyl)hydrazinylidene]-5-oxidanylidene-3H-pyrazol-1-ium-1-yl]benzenesulfinate Openeye Name: methylamino 4-[(4Z)-3-(methylcarbamoyl)-4-[(4-methylsulfinamoyloxyphenyl)hydrazono]-5-oxo-3H-pyrazol-1-ium-1-yl]benzenesulfinate CAS Name: 4-[(4Z)-3-(methylcarbamoyl)-4-[(4-methylsulfinamoyloxyphenyl)hydrazinylidene]-5-oxo-3H-pyrazol-1-ium-1-yl]benzenesulfinic acid methylamino ester IUPAC Name: methylamino 4-[(4Z)-3-(methylcarbamoyl)-4-[(4-methylsulfinamoyloxyphenyl)hydrazinylidene]-5-oxo-3H-pyrazol-1-ium-1-yl]benzenesulfinate Traditional Name: 4-[(4Z)-5-keto-3-(methylcarbamoyl)-4-[(4-methylsulfinamoyloxyphenyl)hydrazono]-1-pyrazolin-1-ium-1-yl]benzenesulfinic acid methylamino ester Formula: C19H22N7O6S2+ MolecularWeight: 508.55128

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(=NNC2=CC=C(C=C2)OS(=O)NC)C(=O)[N+](=N1)C3=CC=C(C=C3)S(=O)ONC

Isomeric SMILES

CNC(=O)C1/C(=N/NC2=CC=C(C=C2)OS(=O)NC)/C(=O)[N+](=N1)C3=CC=C(C=C3)S(=O)ONC

InChI

InChI=1S/C19H21N7O6S2/c1-20-18(27)16-17(24-23-12-4-8-14(9-5-12)31-34(30)22-3)19(28)26(25-16)13-6-10-15(11-7-13)33(29)32-21-2/h4-11,16,21-22H,1-3H3,(H-,20,23,27,28)/p+1