[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-oxidanyl-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-oxidanyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-hydroxy-benzoate CAS Name: 5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate Traditional Name: 5-(diethylsulfamoyl)-2-hydroxy-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H32N2O6S MolecularWeight: 464.57498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O6S/c1-3-25(4-2)32(29,30)18-5-6-20(26)19(10-18)22(28)31-14-21(27)24-23-11-15-7-16(12-23)9-17(8-15)13-23/h5-6,10,15-17,26H,3-4,7-9,11-14H2,1-2H3,(H,24,27)