[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-12-6-5-7-13(2)17(12)20-18(21)14(3)25-19(22)15-8-10-16(11-9-15)26(4,23)24/h5-11,14H,1-4H3,(H,20,21)/t14-/m0/s1