[1-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [1-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [1-[4-chloro-3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-chloro-3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H29ClN2O6S MolecularWeight: 484.99346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)C)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)C)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C22H29ClN2O6S/c1-13(19(26)24-16-4-5-17(23)18(7-16)32(29,30)25(2)3)31-20(27)21-8-14-6-15(9-21)11-22(28,10-14)12-21/h4-5,7,13-15,28H,6,8-12H2,1-3H3,(H,24,26)