2-(4-methylphenyl)sulfonyl-2-(3-propan-2-yloxyquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-(3-propan-2-yloxyquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(3-isopropoxyquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-(3-propan-2-yloxy-2-quinoxalinyl)acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetonitrile Traditional Name: 2-(3-isopropoxyquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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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=C2OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OC(C)C

InChI

InChI=1S/C20H19N3O3S/c1-13(2)26-20-19(22-16-6-4-5-7-17(16)23-20)18(12-21)27(24,25)15-10-8-14(3)9-11-15/h4-11,13,18H,1-3H3