1-cyanoethyl 2-methylsulfonylbenzoate

Systemtic Name: 1-cyanoethyl 2-methylsulfonylbenzoate Openeye Name: 1-cyanoethyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid 1-cyanoethyl ester Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1S(=O)(=O)C

Isomeric SMILES

CC(C#N)OC(=O)C1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C11H11NO4S/c1-8(7-12)16-11(13)9-5-3-4-6-10(9)17(2,14)15/h3-6,8H,1-2H3