2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]-2-thiophen-2-ylsulfonylacetonitrile IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile Formula: C24H20FN5O2S2 MolecularWeight: 493.576303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H20FN5O2S2/c25-17-7-9-18(10-8-17)29-11-13-30(14-12-29)24-23(27-19-4-1-2-5-20(19)28-24)21(16-26)34(31,32)22-6-3-15-33-22/h1-10,15,21H,11-14H2