[(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 3-methylsulfonylbenzoate Openeye Name: [(1S)-2-morpholino-2-oxo-1-phenyl-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [(1S)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C20H21NO6S/c1-28(24,25)17-9-5-8-16(14-17)20(23)27-18(15-6-3-2-4-7-15)19(22)21-10-12-26-13-11-21/h2-9,14,18H,10-13H2,1H3/t18-/m0/s1