(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H24ClNO6S MolecularWeight: 465.94706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C22H24ClNO6S/c23-19-12-17(13-20-22(19)30-15-29-20)14-28-21(25)9-6-16-4-7-18(8-5-16)31(26,27)24-10-2-1-3-11-24/h4-5,7-8,12-13H,1-3,6,9-11,14-15H2