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

Systemtic Name: [(2S)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [(1S)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO6S/c1-14-3-4-17(13-19(14)30(26,27)23-9-11-28-12-10-23)21(25)29-15(2)20(24)16-5-7-18(22)8-6-16/h3-8,13,15H,9-12H2,1-2H3/t15-/m0/s1