[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C23H29BrN2O6S MolecularWeight: 541.45516

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H29BrN2O6S/c24-23-12-16-8-17(13-23)11-22(10-16,15-23)21(28)32-14-20(27)25-18-2-1-3-19(9-18)33(29,30)26-4-6-31-7-5-26/h1-3,9,16-17H,4-8,10-15H2,(H,25,27)