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

Systemtic Name: (3-cyanophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (3-cyanophenyl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (3-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(=C3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H24N2O4S/c23-16-19-5-4-6-20(15-19)17-28-22(25)12-9-18-7-10-21(11-8-18)29(26,27)24-13-2-1-3-14-24/h4-8,10-11,15H,1-3,9,12-14,17H2