[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)N2CCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H28N2O6S/c1-15-6-7-17(14-18(15)29(25,26)22-10-12-27-13-11-22)20(24)28-16(2)19(23)21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13H2,1-2H3/t16-/m1/s1