sodium [4-[[2-aminocarbonyl-5-(3-ethyl-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl)phenyl]amino]cyclohexyl] sulfate

Systemtic Name: sodium [4-[[2-aminocarbonyl-5-(3-ethyl-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl)phenyl]amino]cyclohexyl] sulfate Openeye Name: sodium [4-[2-carbamoyl-5-(3-ethyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]cyclohexyl] sulfate CAS Name: sodium [4-[2-carbamoyl-5-(3-ethyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]cyclohexyl] sulfate IUPAC Name: sodium [4-[2-carbamoyl-5-(3-ethyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]cyclohexyl] sulfate Traditional Name: sodium [4-[2-carbamoyl-5-(3-ethyl-4-keto-6,6-dimethyl-5,7-dihydroindazol-1-yl)anilino]cyclohexyl] sulfate Formula: C24H31N4NaO6S MolecularWeight: 526.58091

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H32N4O6S.Na/c1-4-18-22-20(12-24(2,3)13-21(22)29)28(27-18)15-7-10-17(23(25)30)19(11-15)26-14-5-8-16(9-6-14)34-35(31,32)33;/h7,10-11,14,16,26H,4-6,8-9,12-13H2,1-3H3,(H2,25,30)(H,31,32,33);/q;+1/p-1