[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C21H27ClN2O6S MolecularWeight: 470.96688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C21H27ClN2O6S/c1-24(2)31(28,29)15-3-4-16(22)17(6-15)23-18(25)11-30-19(26)20-7-13-5-14(8-20)10-21(27,9-13)12-20/h3-4,6,13-14,27H,5,7-12H2,1-2H3,(H,23,25)