[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C20H25BrN2O5S MolecularWeight: 485.3919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H25BrN2O5S/c1-12(17(24)23-15-2-4-16(5-3-15)29(22,26)27)28-18(25)19-7-13-6-14(8-19)10-20(21,9-13)11-19/h2-5,12-14H,6-11H2,1H3,(H,23,24)(H2,22,26,27)/t12-,13-,14+,19?,20?/m1/s1