cyanomethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: cyanomethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: cyanomethyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid cyanomethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC#N

InChI

InChI=1S/C15H18N2O4S/c1-12-2-4-14(5-3-12)22(19,20)17-9-6-13(7-10-17)15(18)21-11-8-16/h2-5,13H,6-7,9-11H2,1H3