2-(2-chloranyl-5-methyl-phenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-chloranyl-5-methyl-phenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-chloro-5-methyl-phenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-chloro-5-methylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-5-methylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-chloro-5-methyl-phenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C21H25ClN2O4S MolecularWeight: 436.9522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-15-4-7-19(22)20(12-15)28-14-21(25)23-8-10-24(11-9-23)29(26,27)18-6-5-16(2)17(3)13-18/h4-7,12-13H,8-11,14H2,1-3H3