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

Systemtic Name: (2-chlorophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-chlorophenyl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-chlorobenzyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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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=C3Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClNO4S/c22-20-7-3-2-6-18(20)16-27-21(24)13-10-17-8-11-19(12-9-17)28(25,26)23-14-4-1-5-15-23/h2-3,6-9,11-12H,1,4-5,10,13-16H2