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

Systemtic Name: 2-(3-chlorophenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(3-chlorophenyl)sulfonyl-2-(3-morpholinoquinoxalin-2-yl)acetonitrile CAS Name: 2-(3-chlorophenyl)sulfonyl-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(3-chlorophenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetonitrile Traditional Name: 2-(3-chlorophenyl)sulfonyl-2-(3-morpholinoquinoxalin-2-yl)acetonitrile Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCCN1C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H17ClN4O3S/c21-14-4-3-5-15(12-14)29(26,27)18(13-22)19-20(25-8-10-28-11-9-25)24-17-7-2-1-6-16(17)23-19/h1-7,12,18H,8-11H2