[2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C21H27BrN2O5S MolecularWeight: 499.41848

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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)Br

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H27BrN2O5S/c1-24(2)30(27,28)17-5-3-4-16(7-17)23-18(25)12-29-19(26)20-8-14-6-15(9-20)11-21(22,10-14)13-20/h3-5,7,14-15H,6,8-13H2,1-2H3,(H,23,25)/t14-,15+,20?,21?