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

Systemtic Name: (3-cyanophenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (3-cyanophenyl)methyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (3-cyanobenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c22-15-18-5-4-6-19(13-18)16-27-21(24)14-17-7-9-20(10-8-17)28(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14,16H2