1,3-benzodioxol-5-yl 4-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C

InChI

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