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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(phenylsulfonyl)piperazine; ethanedioic acid Openeye Name: 1-(benzenesulfonyl)-4-[(3-bromophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[(3-bromophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(3-bromophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-(3-bromobenzyl)piperazine; oxalic acid Formula: C19H21BrN2O6S MolecularWeight: 485.34884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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