1-(2,5-dimethylphenyl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(2,5-dimethylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione Traditional Name: 1-(4-besylpiperazino)-4-(2,5-dimethylphenyl)butane-1,4-dione Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-17-8-9-18(2)20(16-17)21(25)10-11-22(26)23-12-14-24(15-13-23)29(27,28)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3