1,3-benzodioxol-5-ylmethyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid piperonyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c22-20(25-13-15-7-8-18-19(11-15)27-14-26-18)16-5-4-6-17(12-16)28(23,24)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10,13-14H2