4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-chloro-2-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chloro-2-methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-1-(4-tosylpiperazino)butan-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)CCCOC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=C(C=C(C=C3)Cl)C

InChI

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