[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H17NO5S/c1-9(13(16)15-11-6-7-11)20-14(17)10-4-3-5-12(8-10)21(2,18)19/h3-5,8-9,11H,6-7H2,1-2H3,(H,15,16)