2-[4-[3-(4-fluorophenyl)imidazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(4-fluorophenyl)imidazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[3-(4-fluorophenyl)-4-imidazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H18FN5O3S MolecularWeight: 439.462723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN=CN2C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN=CN2C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H18FN5O3S/c22-17-5-7-18(8-6-17)27-15-24-14-19(27)21(28)25-9-11-26(12-10-25)31(29,30)20-4-2-1-3-16(20)13-23/h1-8,14-15H,9-12H2