2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-(4-fluorophenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(4-fluorophenyl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H20FN3O3S/c21-18-8-5-16(6-9-18)7-10-20(25)23-11-13-24(14-12-23)28(26,27)19-4-2-1-3-17(19)15-22/h1-6,8-9H,7,10-14H2