ethanedioic acid; 1-(phenylsulfonyl)-4-propylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-(phenylsulfonyl)-4-propylsulfonyl-piperazine Openeye Name: 1-(benzenesulfonyl)-4-propylsulfonyl-piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-propylsulfonylpiperazine; oxalic acid Traditional Name: 1-besyl-4-propylsulfonyl-piperazine; oxalic acid Formula: C15H22N2O8S2 MolecularWeight: 422.47378

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2O4S2.C2H2O4/c1-2-12-20(16,17)14-8-10-15(11-9-14)21(18,19)13-6-4-3-5-7-13;3-1(4)2(5)6/h3-7H,2,8-12H2,1H3;(H,3,4)(H,5,6)