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

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C19H23BrN2O5S MolecularWeight: 471.36532

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H23BrN2O5S/c20-19-8-12-5-13(9-19)7-18(6-12,11-19)17(24)27-10-16(23)22-14-1-3-15(4-2-14)28(21,25)26/h1-4,12-13H,5-11H2,(H,22,23)(H2,21,25,26)/t12-,13+,18?,19?