3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[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(=C3)C#N

Isomeric SMILES

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

InChI

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