[2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C22H30N2O6S MolecularWeight: 450.5484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O6S/c1-24(2)31(27,28)17-4-5-19(29-3)18(9-17)23-20(25)13-30-21(26)22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-16H,6-8,10-13H2,1-3H3,(H,23,25)