1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(2,5-dimethylphenyl)piperazino]-3-tosyl-propan-1-one Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-17-5-8-20(9-6-17)28(26,27)15-10-22(25)24-13-11-23(12-14-24)21-16-18(2)4-7-19(21)3/h4-9,16H,10-15H2,1-3H3