[1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate

Systemtic Name: [1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate Openeye Name: [2-(dimethylamino)-1-methyl-2-oxo-ethyl] 1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid [1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(dimethylamino)-1-oxopropan-2-yl] 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotic acid [2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N4O8S MolecularWeight: 498.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)OC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)C)OC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O8S/c1-15(20(26)22(2)3)33-21(27)16-6-8-23(9-7-16)18-5-4-17(14-19(18)25(28)29)34(30,31)24-10-12-32-13-11-24/h4-5,14-16H,6-13H2,1-3H3