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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethylsulfonyl-piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethylsulfonylpiperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-ethylsulfonylpiperazine; oxalic acid Traditional Name: 1-esyl-4-piperonyl-piperazine; oxalic acid Formula: C16H22N2O8S MolecularWeight: 402.41948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S.C2H2O4/c1-2-21(17,18)16-7-5-15(6-8-16)10-12-3-4-13-14(9-12)20-11-19-13;3-1(4)2(5)6/h3-4,9H,2,5-8,10-11H2,1H3;(H,3,4)(H,5,6)