[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C18H18N2O8S MolecularWeight: 422.40912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O8S/c21-15(12-27-18(22)16-8-9-17(28-16)20(23)24)13-4-6-14(7-5-13)29(25,26)19-10-2-1-3-11-19/h4-9H,1-3,10-12H2