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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-propylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(4-bromophenyl)methyl]-4-propylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(4-bromophenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(4-bromophenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid Traditional Name: 1-(4-bromobenzyl)-4-propylsulfonyl-piperazine; oxalic acid Formula: C16H23BrN2O6S MolecularWeight: 451.33262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O2S.C2H2O4/c1-2-11-20(18,19)17-9-7-16(8-10-17)12-13-3-5-14(15)6-4-13;3-1(4)2(5)6/h3-6H,2,7-12H2,1H3;(H,3,4)(H,5,6)