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

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-ethylsulfonyl-piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-ethylsulfonylpiperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-ethylsulfonylpiperazine; oxalic acid Traditional Name: 1-besyl-4-esyl-piperazine; oxalic acid Formula: C14H20N2O8S2 MolecularWeight: 408.4472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S2.C2H2O4/c1-2-19(15,16)13-8-10-14(11-9-13)20(17,18)12-6-4-3-5-7-12;3-1(4)2(5)6/h3-7H,2,8-11H2,1H3;(H,3,4)(H,5,6)