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

Systemtic Name: 4-methyl-2-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzenecarbonitrile Openeye Name: 4-methyl-2-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzonitrile CAS Name: 4-methyl-2-[[3-(1-piperazinyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]benzonitrile IUPAC Name: 4-methyl-2-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile Traditional Name: 4-methyl-2-(3-piperazinopyrrolo[3,2-b]pyridin-1-yl)sulfonyl-benzonitrile Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C#N)S(=O)(=O)N2C=C(C3=C2C=CC=N3)N4CCNCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C#N)S(=O)(=O)N2C=C(C3=C2C=CC=N3)N4CCNCC4

InChI

InChI=1S/C19H19N5O2S/c1-14-4-5-15(12-20)18(11-14)27(25,26)24-13-17(23-9-7-21-8-10-23)19-16(24)3-2-6-22-19/h2-6,11,13,21H,7-10H2,1H3