4-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperonyl-piperidine Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H25NO6S/c1-25-18-6-4-17(13-20(18)26-2)29(23,24)22-9-7-15(8-10-22)11-16-3-5-19-21(12-16)28-14-27-19/h3-6,12-13,15H,7-11,14H2,1-2H3