1-[(2-bromophenyl)methyl]-4-ethylsulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-ethylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(2-bromophenyl)methyl]-4-ethylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(2-bromophenyl)methyl]-4-ethylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(2-bromophenyl)methyl]-4-ethylsulfonylpiperazine; oxalic acid Traditional Name: 1-(2-bromobenzyl)-4-esyl-piperazine; oxalic acid Formula: C15H21BrN2O6S MolecularWeight: 437.30604

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2Br.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19BrN2O2S.C2H2O4/c1-2-19(17,18)16-9-7-15(8-10-16)11-12-5-3-4-6-13(12)14;3-1(4)2(5)6/h3-6H,2,7-11H2,1H3;(H,3,4)(H,5,6)