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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(3-bromobenzyl)-4-(4-chlorophenyl)sulfonyl-piperazine; oxalic acid Formula: C19H20BrClN2O6S MolecularWeight: 519.7939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrClN2O2S.C2H2O4/c18-15-3-1-2-14(12-15)13-20-8-10-21(11-9-20)24(22,23)17-6-4-16(19)5-7-17;3-1(4)2(5)6/h1-7,12H,8-11,13H2;(H,3,4)(H,5,6)