[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C20H23NO6S/c1-5-21-19(22)15(4)26-20(23)16-8-10-17(11-9-16)27-28(24,25)18-12-13(2)6-7-14(18)3/h6-12,15H,5H2,1-4H3,(H,21,22)/t15-/m0/s1