[2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl] ester Formula: C22H29BrN2O5S MolecularWeight: 513.44506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H29BrN2O5S/c1-14-4-5-17(31(28,29)25(2)3)7-18(14)24-19(26)12-30-20(27)21-8-15-6-16(9-21)11-22(23,10-15)13-21/h4-5,7,15-16H,6,8-13H2,1-3H3,(H,24,26)