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

Systemtic Name: 1,3-benzodioxol-5-yl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid 1,3-benzodioxol-5-yl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23NO6S/c23-21(28-17-7-10-19-20(14-17)27-15-26-19)11-6-16-4-8-18(9-5-16)29(24,25)22-12-2-1-3-13-22/h4-5,7-10,14H,1-3,6,11-13,15H2