3-cyanopropyl 2-methylsulfonylbenzoate

Systemtic Name: 3-cyanopropyl 2-methylsulfonylbenzoate Openeye Name: 3-cyanopropyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid 3-cyanopropyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCCCC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCCCC#N

InChI

InChI=1S/C12H13NO4S/c1-18(15,16)11-7-3-2-6-10(11)12(14)17-9-5-4-8-13/h2-3,6-7H,4-5,9H2,1H3