2-fluoranyl-5-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzenecarbonitrile

Systemtic Name: 2-fluoranyl-5-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzenecarbonitrile Openeye Name: 2-fluoro-5-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzonitrile CAS Name: 2-fluoro-5-[[3-(1-piperazinyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]benzonitrile IUPAC Name: 2-fluoro-5-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile Traditional Name: 2-fluoro-5-(3-piperazinopyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzonitrile Formula: C18H16FN5O2S MolecularWeight: 385.415343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)F)C#N

Isomeric SMILES

C1CN(CCN1)C2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)F)C#N

InChI

InChI=1S/C18H16FN5O2S/c19-15-4-3-14(10-13(15)11-20)27(25,26)24-12-17(23-8-6-21-7-9-23)18-16(24)2-1-5-22-18/h1-5,10,12,21H,6-9H2