(2-cyanophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-cyanophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-cyanophenyl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-cyanobenzyl) ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H24N2O4S/c23-16-19-6-2-3-7-20(19)17-28-22(25)13-10-18-8-11-21(12-9-18)29(26,27)24-14-4-1-5-15-24/h2-3,6-9,11-12H,1,4-5,10,13-15,17H2