2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-fluorobenzoyl)piperazino]sulfonylbenzonitrile Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H16FN3O3S/c19-16-7-5-14(6-8-16)18(23)21-9-11-22(12-10-21)26(24,25)17-4-2-1-3-15(17)13-20/h1-8H,9-12H2