2-(3,4-dimethylphenyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethylphenyl)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dimethylphenyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]ethanone 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)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C22H28N2O3S/c1-16-5-8-21(19(4)13-16)28(26,27)24-11-9-23(10-12-24)22(25)15-20-7-6-17(2)18(3)14-20/h5-8,13-14H,9-12,15H2,1-4H3