2-[3-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[3-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[3-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[3-(2-dimethylaminoethyl)-1-pyrrolo[2,3-b]pyridinyl]sulfonyl]benzonitrile IUPAC Name: 2-[3-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[3-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylbenzonitrile Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CN(C2=C1C=CC=N2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(C)CCC1=CN(C2=C1C=CC=N2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H18N4O2S/c1-21(2)11-9-15-13-22(18-16(15)7-5-10-20-18)25(23,24)17-8-4-3-6-14(17)12-19/h3-8,10,13H,9,11H2,1-2H3