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

Systemtic Name: 2-[4-[2-[(2-fluorophenyl)amino]pyridin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(2-fluoroanilino)-3-pyridinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-fluoroanilino)nicotinoyl]piperazino]sulfonylbenzonitrile Formula: C23H20FN5O3S MolecularWeight: 465.500003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H20FN5O3S/c24-19-8-2-3-9-20(19)27-22-18(7-5-11-26-22)23(30)28-12-14-29(15-13-28)33(31,32)21-10-4-1-6-17(21)16-25/h1-11H,12-15H2,(H,26,27)