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

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 2-(3,4-dimethylphenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 2-(3,4-dimethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 2-(3,4-dimethylphenoxy)-1-(4-tosylpiperazino)butan-1-one Formula: C23H30N2O4S MolecularWeight: 430.5603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)OC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)OC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H30N2O4S/c1-5-22(29-20-9-8-18(3)19(4)16-20)23(26)24-12-14-25(15-13-24)30(27,28)21-10-6-17(2)7-11-21/h6-11,16,22H,5,12-15H2,1-4H3