2-(4-methylphenyl)sulfonyl-2-[3-[(phenylmethyl)amino]quinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-[3-[(phenylmethyl)amino]quinoxalin-2-yl]ethanenitrile Openeye Name: 2-[3-(benzylamino)quinoxalin-2-yl]-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-[3-[(phenylmethyl)amino]-2-quinoxalinyl]acetonitrile IUPAC Name: 2-[3-(benzylamino)quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-[3-(benzylamino)quinoxalin-2-yl]-2-tosyl-acetonitrile Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCC4=CC=CC=C4

InChI

InChI=1S/C24H20N4O2S/c1-17-11-13-19(14-12-17)31(29,30)22(15-25)23-24(26-16-18-7-3-2-4-8-18)28-21-10-6-5-9-20(21)27-23/h2-14,22H,16H2,1H3,(H,26,28)