1,3-benzodioxol-5-yl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid 1,3-benzodioxol-5-yl ester Formula: C21H23NO8S MolecularWeight: 449.47422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H23NO8S/c1-26-17-6-4-16(12-19(17)27-2)31(24,25)22-9-7-14(8-10-22)21(23)30-15-3-5-18-20(11-15)29-13-28-18/h3-6,11-12,14H,7-10,13H2,1-2H3