2-[1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]ethanenitrile

Systemtic Name: 2-[1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]ethanenitrile Openeye Name: 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]acetonitrile CAS Name: 2-[1-(benzenesulfonyl)-3-pyrrolo[2,3-b]pyridinyl]acetonitrile IUPAC Name: 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]acetonitrile Traditional Name: 2-(1-besylpyrrolo[2,3-b]pyridin-3-yl)acetonitrile Formula: C15H11N3O2S MolecularWeight: 297.33174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC=C3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC=C3)CC#N

InChI

InChI=1S/C15H11N3O2S/c16-9-8-12-11-18(15-14(12)7-4-10-17-15)21(19,20)13-5-2-1-3-6-13/h1-7,10-11H,8H2