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

Systemtic Name: (4-methoxyphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (4-methoxyphenyl) 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (4-methoxyphenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25NO5S/c1-26-18-8-10-19(11-9-18)27-21(23)14-7-17-5-12-20(13-6-17)28(24,25)22-15-3-2-4-16-22/h5-6,8-13H,2-4,7,14-16H2,1H3