2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-fluoro-6-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]benzonitrile Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C21H24FN3O2S/c1-3-16(2)17-7-9-18(10-8-17)28(26,27)25-13-11-24(12-14-25)21-6-4-5-20(22)19(21)15-23/h4-10,16H,3,11-14H2,1-2H3/t16-/m0/s1