[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-chloro-5-(methylsulfamoyl)benzoate CAS Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H26ClN3O6S MolecularWeight: 483.96564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O6S/c1-23-32(29,30)15-2-3-17(22)16(7-15)19(27)31-11-18(26)24-20(28)25-21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,12-14,23H,4-6,8-11H2,1H3,(H2,24,25,26,28)