[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C18H19BrN2O6S MolecularWeight: 471.32226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C18H19BrN2O6S/c19-16-8-7-15(27-16)18(23)26-12-17(22)20-13-5-4-6-14(11-13)28(24,25)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,20,22)