1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-mesyl-4-piperonyl-piperazine; oxalic acid Formula: C15H20N2O8S MolecularWeight: 388.3929

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H18N2O4S.C2H2O4/c1-20(16,17)15-6-4-14(5-7-15)9-11-2-3-12-13(8-11)19-10-18-12;3-1(4)2(5)6/h2-3,8H,4-7,9-10H2,1H3;(H,3,4)(H,5,6)