(1-cyanoindolizin-2-yl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfonylbenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H14N2O4S MolecularWeight: 354.37976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C18H14N2O4S/c1-25(22,23)17-8-3-2-6-14(17)18(21)24-12-13-11-20-9-5-4-7-16(20)15(13)10-19/h2-9,11H,12H2,1H3