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

Systemtic Name: 3-(2,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2,5-dimethylphenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,5-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2,5-dimethylphenoxy)-1-(4-tosylpiperazino)propan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H28N2O4S/c1-17-5-8-20(9-6-17)29(26,27)24-13-11-23(12-14-24)22(25)10-15-28-21-16-18(2)4-7-19(21)3/h4-9,16H,10-15H2,1-3H3