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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonyl-piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine; oxalic acid Traditional Name: oxalic acid; 1-piperonyl-4-propylsulfonyl-piperazine Formula: C17H24N2O8S MolecularWeight: 416.44606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4S.C2H2O4/c1-2-9-22(18,19)17-7-5-16(6-8-17)11-13-3-4-14-15(10-13)21-12-20-14;3-1(4)2(5)6/h3-4,10H,2,5-9,11-12H2,1H3;(H,3,4)(H,5,6)