2-(4-fluorophenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(4-fluorophenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile CAS Name: 2-(4-fluorophenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(4-fluorophenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: 2-(4-fluorophenyl)sulfonyl-2-(3-pyrrolidinoquinoxalin-2-yl)acetonitrile Formula: C20H17FN4O2S MolecularWeight: 396.437983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN4O2S/c21-14-7-9-15(10-8-14)28(26,27)18(13-22)19-20(25-11-3-4-12-25)24-17-6-2-1-5-16(17)23-19/h1-2,5-10,18H,3-4,11-12H2