2-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile CAS Name: 2-[[3-(1-piperazinyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]benzonitrile IUPAC Name: 2-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile Traditional Name: 2-(3-piperazinopyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1)C2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C18H17N5O2S/c19-12-14-4-1-2-6-17(14)26(24,25)23-13-16(22-10-8-20-9-11-22)18-15(23)5-3-7-21-18/h1-7,13,20H,8-11H2