[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1S(=O)(=O)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C14H19NO5S/c1-4-9-15-13(16)10(2)20-14(17)11-7-5-6-8-12(11)21(3,18)19/h5-8,10H,4,9H2,1-3H3,(H,15,16)/t10-/m0/s1