[1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-4-9-16-14(17)11(2)21-15(18)13-7-5-12(6-8-13)10-22(3,19)20/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)