2-(4-fluoranylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-fluoranylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 2-(4-fluorophenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 2-(4-fluorophenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-fluorophenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 2-(4-fluorophenoxy)-1-(4-tosylpiperazino)butan-1-one Formula: C21H25FN2O4S MolecularWeight: 420.497603

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O4S/c1-3-20(28-18-8-6-17(22)7-9-18)21(25)23-12-14-24(15-13-23)29(26,27)19-10-4-16(2)5-11-19/h4-11,20H,3,12-15H2,1-2H3