[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid [(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2R,6R)-2,6-dimethylmorpholino]sulfonylbenzoic acid [(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)N3CCCC3

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@@H](C)C(=O)N3CCCC3

InChI

InChI=1S/C20H28N2O6S/c1-14-12-22(13-15(2)27-14)29(25,26)18-8-6-7-17(11-18)20(24)28-16(3)19(23)21-9-4-5-10-21/h6-8,11,14-16H,4-5,9-10,12-13H2,1-3H3/t14-,15-,16+/m1/s1