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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(diethylsulfamoyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H31ClN2O5S MolecularWeight: 483.02064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN2O5S/c1-3-26(4-2)32(29,30)18-5-6-20(24)19(10-18)22(28)31-14-21(27)25-23-11-15-7-16(12-23)9-17(8-15)13-23/h5-6,10,15-17H,3-4,7-9,11-14H2,1-2H3,(H,25,27)