(2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid (2-keto-2-morpholino-ethyl) ester Formula: C18H22ClN3O8S MolecularWeight: 475.90058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N2CCOCC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N2CCOCC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN3O8S/c19-15-2-1-14(22(25)26)11-16(15)31(27,28)21-5-3-13(4-6-21)18(24)30-12-17(23)20-7-9-29-10-8-20/h1-2,11,13H,3-10,12H2