[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-4-9-15-13(16)10(2)20-14(17)11-5-7-12(8-6-11)21(3,18)19/h4-8,10H,1,9H2,2-3H3,(H,15,16)