1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine hydrochloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine hydrochloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine hydrochloride CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine hydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine hydrochloride Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperonyl-piperazine hydrochloride Formula: C20H25ClN2O6S MolecularWeight: 456.9403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.Cl

InChI

InChI=1S/C20H24N2O6S.ClH/c1-25-16-4-6-18(26-2)20(12-16)29(23,24)22-9-7-21(8-10-22)13-15-3-5-17-19(11-15)28-14-27-17;/h3-6,11-12H,7-10,13-14H2,1-2H3;1H