methyl 2-cyano-5-methylsulfonyl-4-propyl-benzoate

Systemtic Name: methyl 2-cyano-5-methylsulfonyl-4-propyl-benzoate Openeye Name: methyl 2-cyano-5-methylsulfonyl-4-propyl-benzoate CAS Name: 2-cyano-5-methylsulfonyl-4-propylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-5-methylsulfonyl-4-propylbenzoate Traditional Name: 2-cyano-5-mesyl-4-propyl-benzoic acid methyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C#N)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C#N)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C13H15NO4S/c1-4-5-9-6-10(8-14)11(13(15)18-2)7-12(9)19(3,16)17/h6-7H,4-5H2,1-3H3