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

Systemtic Name: 2-(3-cyclohexyloxyquinoxalin-2-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-[3-(cyclohexoxy)quinoxalin-2-yl]-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(3-cyclohexyloxy-2-quinoxalinyl)-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-(3-cyclohexyloxyquinoxalin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-[3-(cyclohexoxy)quinoxalin-2-yl]-2-tosyl-acetonitrile Formula: C23H23N3O3S MolecularWeight: 421.51202

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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=C2OC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OC4CCCCC4

InChI

InChI=1S/C23H23N3O3S/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/h5-6,9-14,17,21H,2-4,7-8H2,1H3