1,3-benzodioxol-5-yl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: 1,3-benzodioxol-5-yl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid 1,3-benzodioxol-5-yl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H23NO6S/c1-14-8-15(2)12-22(11-14)29(24,25)18-5-3-4-16(9-18)21(23)28-17-6-7-19-20(10-17)27-13-26-19/h3-7,9-10,14-15H,8,11-13H2,1-2H3