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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-benzylsulfonyl-4-[(4-bromophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-bromophenyl)methyl]-4-(phenylmethyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-benzylsulfonyl-4-[(4-bromophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-(4-bromobenzyl)piperazine; oxalic acid Formula: C20H23BrN2O6S MolecularWeight: 499.37542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Br)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Br)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21BrN2O2S.C2H2O4/c19-18-8-6-16(7-9-18)14-20-10-12-21(13-11-20)24(22,23)15-17-4-2-1-3-5-17;3-1(4)2(5)6/h1-9H,10-15H2;(H,3,4)(H,5,6)