3-chloranyl-4-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzenecarbonitrile Openeye Name: 3-chloro-4-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzonitrile CAS Name: 3-chloro-4-[[3-(1-piperazinyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]benzonitrile IUPAC Name: 3-chloro-4-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile Traditional Name: 3-chloro-4-(3-piperazinopyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzonitrile Formula: C18H16ClN5O2S MolecularWeight: 401.86994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O2S/c19-14-10-13(11-20)3-4-17(14)27(25,26)24-12-16(23-8-6-21-7-9-23)18-15(24)2-1-5-22-18/h1-5,10,12,21H,6-9H2