2-(2,6-dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,6-dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,6-dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2,6-dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2,6-dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2,6-dimethylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H28N2O4S/c1-16-8-9-17(2)20(14-16)29(26,27)24-12-10-23(11-13-24)21(25)15-28-22-18(3)6-5-7-19(22)4/h5-9,14H,10-13,15H2,1-4H3