(2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]ethanenitrile

Systemtic Name: (2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]ethanenitrile Openeye Name: (2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile CAS Name: (2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-ethyl-1-piperazinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile Traditional Name: (2R)-2-(3-chlorophenyl)sulfonyl-2-[3-(4-ethylpiperazino)quinoxalin-2-yl]acetonitrile Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5O2S/c1-2-27-10-12-28(13-11-27)22-21(25-18-8-3-4-9-19(18)26-22)20(15-24)31(29,30)17-7-5-6-16(23)14-17/h3-9,14,20H,2,10-13H2,1H3/t20-/m0/s1