(3-cyanophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (3-cyanophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (3-cyanophenyl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (3-cyanobenzyl) ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H17NO4S/c1-14-5-7-17(8-6-14)24(21,22)10-9-18(20)23-13-16-4-2-3-15(11-16)12-19/h2-8,11H,9-10,13H2,1H3