2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-octan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-octan-2-yl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-methylheptyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-octan-2-yl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonylpiperazino]-N-[(1S)-1-methylheptyl]acetamide Formula: C20H32FN3O3S MolecularWeight: 413.549783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H32FN3O3S/c1-3-4-5-6-7-17(2)22-20(25)16-23-12-14-24(15-13-23)28(26,27)19-10-8-18(21)9-11-19/h8-11,17H,3-7,12-16H2,1-2H3,(H,22,25)/t17-/m0/s1