1-(4-bromophenyl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-bromophenyl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(4-bromophenyl)butane-1,4-dione CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(4-bromophenyl)butane-1,4-dione IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(4-bromophenyl)butane-1,4-dione Traditional Name: 1-(4-besylpiperazino)-4-(4-bromophenyl)butane-1,4-dione Formula: C20H21BrN2O4S MolecularWeight: 465.36074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O4S/c21-17-8-6-16(7-9-17)19(24)10-11-20(25)22-12-14-23(15-13-22)28(26,27)18-4-2-1-3-5-18/h1-9H,10-15H2