2-(4-methylphenyl)sulfonyl-2-(3-phenoxyquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-(3-phenoxyquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(3-phenoxyquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-(3-phenoxy-2-quinoxalinyl)acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-(3-phenoxyquinoxalin-2-yl)acetonitrile Traditional Name: 2-(3-phenoxyquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C23H17N3O3S MolecularWeight: 415.46438

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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=C2OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OC4=CC=CC=C4

InChI

InChI=1S/C23H17N3O3S/c1-16-11-13-18(14-12-16)30(27,28)21(15-24)22-23(29-17-7-3-2-4-8-17)26-20-10-6-5-9-19(20)25-22/h2-14,21H,1H3