[2-oxidanylidene-2-(propylamino)ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=CC(=CC=C1)CS(=O)(=O)C

Isomeric SMILES

CCCNC(=O)COC(=O)C1=CC(=CC=C1)CS(=O)(=O)C

InChI

InChI=1S/C14H19NO5S/c1-3-7-15-13(16)9-20-14(17)12-6-4-5-11(8-12)10-21(2,18)19/h4-6,8H,3,7,9-10H2,1-2H3,(H,15,16)