1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methoxy-4-methyl-phenoxy)ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methoxy-4-methyl-phenoxy)ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methoxy-4-methyl-phenoxy)ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(2-methoxy-4-methylphenoxy)ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-(2-methoxy-4-methyl-phenoxy)ethanone Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-16-6-8-19(20(13-16)28-4)29-15-22(25)23-9-11-24(12-10-23)30(26,27)21-14-17(2)5-7-18(21)3/h5-8,13-14H,9-12,15H2,1-4H3