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

Systemtic Name: 2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile Openeye Name: 2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile CAS Name: 2-[3-(4-methyl-1-piperazinyl)-2-quinoxalinyl]-2-thiophen-2-ylsulfonylacetonitrile IUPAC Name: 2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile Traditional Name: 2-[3-(4-methylpiperazino)quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H19N5O2S2/c1-23-8-10-24(11-9-23)19-18(21-14-5-2-3-6-15(14)22-19)16(13-20)28(25,26)17-7-4-12-27-17/h2-7,12,16H,8-11H2,1H3