(1-cyanoindolizin-2-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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