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

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-ethylsulfonyl-piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-ethylsulfonylpiperazine; oxalic acid Traditional Name: 1-benzyl-4-esyl-piperazine; oxalic acid Formula: C15H22N2O6S MolecularWeight: 358.40998

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2O2S.C2H2O4/c1-2-18(16,17)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13;3-1(4)2(5)6/h3-7H,2,8-12H2,1H3;(H,3,4)(H,5,6)