[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(dimethylsulfamoyl)benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H28ClN3O6S MolecularWeight: 497.99222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O6S/c1-26(2)33(30,31)18-8-16(3-4-17(18)23)20(28)32-12-19(27)24-21(29)25-22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H2,24,25,27,29)