2-(4-methoxyphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-morpholinoquinoxalin-2-yl)acetonitrile CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetonitrile Traditional Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-morpholinoquinoxalin-2-yl)acetonitrile Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCOCC4

InChI

InChI=1S/C21H20N4O4S/c1-28-15-6-8-16(9-7-15)30(26,27)19(14-22)20-21(25-10-12-29-13-11-25)24-18-5-3-2-4-17(18)23-20/h2-9,19H,10-13H2,1H3