1-[(3-bromophenyl)methyl]-4-ethylsulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-ethylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-ethylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-ethylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-ethylsulfonylpiperazine; oxalic acid Traditional Name: 1-(3-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=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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