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

Systemtic Name: (phenylmethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: benzyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid benzyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c23-21(26-17-19-7-3-1-4-8-19)14-11-18-9-12-20(13-10-18)27(24,25)22-15-5-2-6-16-22/h1,3-4,7-10,12-13H,2,5-6,11,14-17H2