[4-[2-(dimethylaminocarbamoyl)hydrazinyl]-5-methylsulfonyl-2-(trifluoromethyl)phenyl] methanesulfinate

Systemtic Name: [4-[2-(dimethylaminocarbamoyl)hydrazinyl]-5-methylsulfonyl-2-(trifluoromethyl)phenyl] methanesulfinate Openeye Name: [4-[2-(dimethylaminocarbamoyl)hydrazino]-5-methylsulfonyl-2-(trifluoromethyl)phenyl] methanesulfinate CAS Name: methanesulfinic acid [4-[[(2,2-dimethylhydrazinyl)-oxomethyl]hydrazo]-5-methylsulfonyl-2-(trifluoromethyl)phenyl] ester IUPAC Name: [4-[2-(dimethylaminocarbamoyl)hydrazinyl]-5-methylsulfonyl-2-(trifluoromethyl)phenyl] methanesulfinate Traditional Name: methanesulfinic acid [4-[N'-(dimethylaminocarbamoyl)hydrazino]-5-mesyl-2-(trifluoromethyl)phenyl] ester Formula: C12H17F3N4O5S2 MolecularWeight: 418.41239

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)NC(=O)NNC1=C(C=C(C(=C1)C(F)(F)F)OS(=O)C)S(=O)(=O)C

Isomeric SMILES

CN(C)NC(=O)NNC1=C(C=C(C(=C1)C(F)(F)F)OS(=O)C)S(=O)(=O)C

InChI

InChI=1S/C12H17F3N4O5S2/c1-19(2)18-11(20)17-16-8-5-7(12(13,14)15)9(24-25(3)21)6-10(8)26(4,22)23/h5-6,16H,1-4H3,(H2,17,18,20)