1,3-benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid piperonyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23NO6S/c1-15-8-10-22(11-9-15)29(24,25)18-5-3-17(4-6-18)21(23)26-13-16-2-7-19-20(12-16)28-14-27-19/h2-7,12,15H,8-11,13-14H2,1H3