2-fluoranyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-6-fluoro-benzonitrile CAS Name: 2-fluoro-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-6-fluorobenzonitrile Traditional Name: 2-(4-benzylsulfonylpiperazino)-6-fluoro-benzonitrile Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18FN3O2S/c19-17-7-4-8-18(16(17)13-20)21-9-11-22(12-10-21)25(23,24)14-15-5-2-1-3-6-15/h1-8H,9-12,14H2