(3,4-dichlorophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (3,4-dichlorophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (3,4-dichlorophenyl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (3,4-dichlorobenzyl) ester Formula: C21H23Cl2NO4S MolecularWeight: 456.38262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2NO4S/c22-19-10-6-17(14-20(19)23)15-28-21(25)11-7-16-4-8-18(9-5-16)29(26,27)24-12-2-1-3-13-24/h4-6,8-10,14H,1-3,7,11-13,15H2