2-(3,4-dimethylphenyl)sulfonyl-2-[3-(2-oxidanylidenechromen-7-yl)oxyquinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(2-oxidanylidenechromen-7-yl)oxyquinoxalin-2-yl]ethanenitrile Openeye Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(2-oxochromen-7-yl)oxyquinoxalin-2-yl]acetonitrile CAS Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-[(2-oxo-1-benzopyran-7-yl)oxy]-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(2-oxochromen-7-yl)oxyquinoxalin-2-yl]acetonitrile Traditional Name: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(2-ketochromen-7-yl)oxyquinoxalin-2-yl]acetonitrile Formula: C27H19N3O5S MolecularWeight: 497.52186

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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=C2OC4=CC5=C(C=C4)C=CC(=O)O5)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OC4=CC5=C(C=C4)C=CC(=O)O5)C

InChI

InChI=1S/C27H19N3O5S/c1-16-7-11-20(13-17(16)2)36(32,33)24(15-28)26-27(30-22-6-4-3-5-21(22)29-26)34-19-10-8-18-9-12-25(31)35-23(18)14-19/h3-14,24H,1-2H3