2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-(4-tosylpiperazino)propan-1-one Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C22H27ClN2O4S/c1-15-5-7-20(8-6-15)30(27,28)25-11-9-24(10-12-25)22(26)18(4)29-19-13-16(2)21(23)17(3)14-19/h5-8,13-14,18H,9-12H2,1-4H3