2-(4-methylphenyl)sulfonyl-2-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]ethanenitrile Openeye Name: 2-(p-tolylsulfonyl)-2-[3-(p-tolylsulfonyl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-[3-(4-methylphenyl)sulfonyl-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]acetonitrile Traditional Name: 2-tosyl-2-(3-tosylquinoxalin-2-yl)acetonitrile Formula: C24H19N3O4S2 MolecularWeight: 477.55536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H19N3O4S2/c1-16-7-11-18(12-8-16)32(28,29)22(15-25)23-24(27-21-6-4-3-5-20(21)26-23)33(30,31)19-13-9-17(2)10-14-19/h3-14,22H,1-2H3