[2-(dimethylsulfamoyl)-4-methyl-phenyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-(dimethylsulfamoyl)-4-methyl-phenyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-(dimethylsulfamoyl)-4-methyl-phenyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-(dimethylsulfamoyl)-4-methylphenyl] ester IUPAC Name: [2-(dimethylsulfamoyl)-4-methylphenyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-(dimethylsulfamoyl)-4-methyl-phenyl] ester Formula: C20H26ClNO4S MolecularWeight: 411.94274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H26ClNO4S/c1-13-4-5-16(17(6-13)27(24,25)22(2)3)26-18(23)19-8-14-7-15(9-19)11-20(21,10-14)12-19/h4-6,14-15H,7-12H2,1-3H3