[1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-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=C(C=CC(=C1)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-5-8-16-14(17)11(3)21-15(18)13-9-12(22(4,19)20)7-6-10(13)2/h6-7,9,11H,5,8H2,1-4H3,(H,16,17)