[4,5-dicyano-2-[2-(undecylcarbamoyl)hydrazinyl]phenyl] 4-(methylsulfonylamino)benzenesulfinate

Systemtic Name: [4,5-dicyano-2-[2-(undecylcarbamoyl)hydrazinyl]phenyl] 4-(methylsulfonylamino)benzenesulfinate Openeye Name: [4,5-dicyano-2-[2-(undecylcarbamoyl)hydrazino]phenyl] 4-(methanesulfonamido)benzenesulfinate CAS Name: 4-(methanesulfonamido)benzenesulfinic acid [4,5-dicyano-2-[[oxo-(undecylamino)methyl]hydrazo]phenyl] ester IUPAC Name: [4,5-dicyano-2-[2-(undecylcarbamoyl)hydrazinyl]phenyl] 4-(methanesulfonamido)benzenesulfinate Traditional Name: 4-(methanesulfonamido)benzenesulfinic acid [4,5-dicyano-2-[N'-(undecylcarbamoyl)hydrazino]phenyl] ester Formula: C27H36N6O5S2 MolecularWeight: 588.74194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC(=O)NNC1=C(C=C(C(=C1)C#N)C#N)OS(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCNC(=O)NNC1=C(C=C(C(=C1)C#N)C#N)OS(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C27H36N6O5S2/c1-3-4-5-6-7-8-9-10-11-16-30-27(34)32-31-25-17-21(19-28)22(20-29)18-26(25)38-39(35)24-14-12-23(13-15-24)33-40(2,36)37/h12-15,17-18,31,33H,3-11,16H2,1-2H3,(H2,30,32,34)