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

Systemtic Name: (3-cyanophenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (3-cyanophenyl) 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (3-cyanophenyl) 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)CCC(=O)OC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC=CC(=C3)C#N

InChI

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