1-[(2-bromophenyl)methyl]-4-(phenylsulfonyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-(phenylsulfonyl)piperazine; ethanedioic acid Openeye Name: 1-(benzenesulfonyl)-4-[(2-bromophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[(2-bromophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(2-bromophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-(2-bromobenzyl)piperazine; oxalic acid Formula: C19H21BrN2O6S MolecularWeight: 485.34884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19BrN2O2S.C2H2O4/c18-17-9-5-4-6-15(17)14-19-10-12-20(13-11-19)23(21,22)16-7-2-1-3-8-16;3-1(4)2(5)6/h1-9H,10-14H2;(H,3,4)(H,5,6)