1,3-benzodioxol-5-ylmethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid piperonyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23NO6S/c1-15-5-7-17(12-20(15)29(24,25)22-9-3-2-4-10-22)21(23)26-13-16-6-8-18-19(11-16)28-14-27-18/h5-8,11-12H,2-4,9-10,13-14H2,1H3