[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C15H19NO5S/c1-10(14(17)16-13-6-7-13)21-15(18)12-5-3-4-11(8-12)9-22(2,19)20/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,17)/t10-/m1/s1