methyl 2-cyano-3-methylsulfonyl-4-pentyl-benzoate

Systemtic Name: methyl 2-cyano-3-methylsulfonyl-4-pentyl-benzoate Openeye Name: methyl 2-cyano-3-methylsulfonyl-4-pentyl-benzoate CAS Name: 2-cyano-3-methylsulfonyl-4-pentylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-3-methylsulfonyl-4-pentylbenzoate Traditional Name: 4-amyl-2-cyano-3-mesyl-benzoic acid methyl ester Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C(=O)OC)C#N)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C(=O)OC)C#N)S(=O)(=O)C

InChI

InChI=1S/C15H19NO4S/c1-4-5-6-7-11-8-9-12(15(17)20-2)13(10-16)14(11)21(3,18)19/h8-9H,4-7H2,1-3H3