[2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C27H32N2O5S/c1-29(2)35(32,33)23-10-6-9-22(12-23)28-24(30)17-34-25(31)27-15-19-11-20(16-27)14-26(13-19,18-27)21-7-4-3-5-8-21/h3-10,12,19-20H,11,13-18H2,1-2H3,(H,28,30)