2-fluoranyl-6-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(4-pyrrolidinosulfonylbenzoyl)piperazino]benzonitrile Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C22H23FN4O3S/c23-20-4-3-5-21(19(20)16-24)25-12-14-26(15-13-25)22(28)17-6-8-18(9-7-17)31(29,30)27-10-1-2-11-27/h3-9H,1-2,10-15H2