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

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C19H23ClN2O5S MolecularWeight: 426.91432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O5S/c20-19-8-12-4-13(9-19)7-18(6-12,11-19)17(24)27-10-16(23)22-14-2-1-3-15(5-14)28(21,25)26/h1-3,5,12-13H,4,6-11H2,(H,22,23)(H2,21,25,26)/t12-,13+,18?,19?