[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23NO6S/c1-15-6-8-17(9-7-15)20(23)16(2)28-21(24)18-4-3-5-19(14-18)29(25,26)22-10-12-27-13-11-22/h3-9,14,16H,10-13H2,1-2H3/t16-/m0/s1