cyanomethyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: cyanomethyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: cyanomethyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid cyanomethyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC#N

InChI

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