[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21ClN2O6S MolecularWeight: 404.86574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

Isomeric SMILES

C[C@H](C(=O)N(C)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl

InChI

InChI=1S/C16H21ClN2O6S/c1-11(15(20)18(2)3)25-16(21)13-10-12(4-5-14(13)17)26(22,23)19-6-8-24-9-7-19/h4-5,10-11H,6-9H2,1-3H3/t11-/m1/s1