2-[4-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[4-chloro-3-(1-piperidylsulfonyl)benzoyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(4-chloro-3-piperidinosulfonyl-benzoyl)piperazino]-6-fluoro-benzonitrile Formula: C23H24ClFN4O3S MolecularWeight: 490.978063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N)Cl

InChI

InChI=1S/C23H24ClFN4O3S/c24-19-8-7-17(15-22(19)33(31,32)29-9-2-1-3-10-29)23(30)28-13-11-27(12-14-28)21-6-4-5-20(25)18(21)16-26/h4-8,15H,1-3,9-14H2