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

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H19NO5S MolecularWeight: 385.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

InChI

InChI=1S/C20H19NO5S/c1-13(19(22)17-11-21-18-9-4-3-8-16(17)18)26-20(23)15-7-5-6-14(10-15)12-27(2,24)25/h3-11,13,21H,12H2,1-2H3/t13-/m1/s1