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

Systemtic Name: 2-fluoranyl-6-[4-[1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[[1-(benzenesulfonyl)-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(1-besylprolyl)piperazino]-6-fluoro-benzonitrile Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C22H23FN4O3S/c23-19-8-4-9-20(18(19)16-24)25-12-14-26(15-13-25)22(28)21-10-5-11-27(21)31(29,30)17-6-2-1-3-7-17/h1-4,6-9,21H,5,10-15H2