[(2R)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2,5-dimethylbenzoate

Systemtic Name: [(2R)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2,5-dimethylbenzoate Openeye Name: [(1R)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [(1R)-2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C19H21NO5S/c1-12-5-6-13(2)17(11-12)19(22)25-14(3)18(21)15-7-9-16(10-8-15)20-26(4,23)24/h5-11,14,20H,1-4H3/t14-/m1/s1