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

Systemtic Name: 3-[(5-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonyl]benzenecarbonitrile Openeye Name: 3-[(5-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonyl]benzonitrile CAS Name: 3-[[5-(1-piperazinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfonyl]benzonitrile IUPAC Name: 3-[(5-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonyl]benzonitrile Traditional Name: 3-[(5-piperazino-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonyl]benzonitrile Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN=C3C(=C2)C(=CN3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1)C2=CN=C3C(=C2)C(=CN3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

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