1-[5-fluoranyl-2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]propan-1-one

Systemtic Name: 1-[5-fluoranyl-2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]propan-1-one Openeye Name: 1-[5-fluoro-2-methyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]propan-1-one CAS Name: 1-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]phenyl]-1-propanone IUPAC Name: 1-[5-fluoro-2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]propan-1-one Traditional Name: 1-[5-fluoro-2-methyl-4-(4-tosylpiperazino)phenyl]propan-1-one Formula: C21H25FN2O3S MolecularWeight: 404.498203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)F

InChI

InChI=1S/C21H25FN2O3S/c1-4-21(25)18-14-19(22)20(13-16(18)3)23-9-11-24(12-10-23)28(26,27)17-7-5-15(2)6-8-17/h5-8,13-14H,4,9-12H2,1-3H3