2-(3,4-dimethylphenyl)sulfonyl-2-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]ethanenitrile Openeye Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(2-thienylmethylamino)quinoxalin-2-yl]acetonitrile CAS Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(thiophen-2-ylmethylamino)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]acetonitrile Traditional Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(2-thenylamino)quinoxalin-2-yl]acetonitrile Formula: C23H20N4O2S2 MolecularWeight: 448.5605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCC4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCC4=CC=CS4)C

InChI

InChI=1S/C23H20N4O2S2/c1-15-9-10-18(12-16(15)2)31(28,29)21(13-24)22-23(25-14-17-6-5-11-30-17)27-20-8-4-3-7-19(20)26-22/h3-12,21H,14H2,1-2H3,(H,25,27)