2-[1-(4-chloranyl-2,6-dimethyl-phenyl)sulfonyl-3-oxidanylidene-2,4-dihydroquinoxalin-2-yl]-N-(cyanomethyl)ethanamide

Systemtic Name: 2-[1-(4-chloranyl-2,6-dimethyl-phenyl)sulfonyl-3-oxidanylidene-2,4-dihydroquinoxalin-2-yl]-N-(cyanomethyl)ethanamide Openeye Name: 2-[1-(4-chloro-2,6-dimethyl-phenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(cyanomethyl)acetamide CAS Name: 2-[1-(4-chloro-2,6-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(cyanomethyl)acetamide IUPAC Name: 2-[1-(4-chloro-2,6-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(cyanomethyl)acetamide Traditional Name: 2-[1-(4-chloro-2,6-dimethyl-phenyl)sulfonyl-3-keto-2,4-dihydroquinoxalin-2-yl]-N-(cyanomethyl)acetamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2C(C(=O)NC3=CC=CC=C32)CC(=O)NCC#N)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2C(C(=O)NC3=CC=CC=C32)CC(=O)NCC#N)C)Cl

InChI

InChI=1S/C20H19ClN4O4S/c1-12-9-14(21)10-13(2)19(12)30(28,29)25-16-6-4-3-5-15(16)24-20(27)17(25)11-18(26)23-8-7-22/h3-6,9-10,17H,8,11H2,1-2H3,(H,23,26)(H,24,27)