(2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile

Systemtic Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-ethanenitrile Openeye Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile CAS Name: (2R)-2-[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]-2-thiophen-2-ylsulfonylacetonitrile IUPAC Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile Traditional Name: (2R)-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-(2-thienylsulfonyl)acetonitrile Formula: C20H22N5O2S2+ MolecularWeight: 428.55098

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N5O2S2/c1-2-24-9-11-25(12-10-24)20-19(22-15-6-3-4-7-16(15)23-20)17(14-21)29(26,27)18-8-5-13-28-18/h3-8,13,17H,2,9-12H2,1H3/p+1/t17-/m0/s1