1-(4-methylphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methylphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(p-tolyl)-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-methylphenyl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-methylphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(p-tolyl)-4-(4-tosylpiperazino)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(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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