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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-methylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-(3-bromobenzyl)-4-mesyl-piperazine; oxalic acid Formula: C14H19BrN2O6S MolecularWeight: 423.27946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O2S.C2H2O4/c1-18(16,17)15-7-5-14(6-8-15)10-11-3-2-4-12(13)9-11;3-1(4)2(5)6/h2-4,9H,5-8,10H2,1H3;(H,3,4)(H,5,6)