2-[2-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-1-oxidanidyl-3H-quinoxalin-1-ium-2-yl]-N-(4-pyridin-2-ylbut-3-ynyl)ethanamide

Systemtic Name: 2-[2-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-1-oxidanidyl-3H-quinoxalin-1-ium-2-yl]-N-(4-pyridin-2-ylbut-3-ynyl)ethanamide Openeye Name: 2-[2-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-[4-(2-pyridyl)but-3-ynyl]acetamide CAS Name: 2-[2-(4-chloro-2,5-dimethylphenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-[4-(2-pyridinyl)but-3-ynyl]acetamide IUPAC Name: 2-[2-(4-chloro-2,5-dimethylphenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-(4-pyridin-2-ylbut-3-ynyl)acetamide Traditional Name: 2-[2-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-[4-(2-pyridyl)but-3-ynyl]acetamide Formula: C27H25ClN4O4S MolecularWeight: 537.0298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C2(CN=C3C=CC=CC3=[N+]2[O-])CC(=O)NCCC#CC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C2(CN=C3C=CC=CC3=[N+]2[O-])CC(=O)NCCC#CC4=CC=CC=N4

InChI

InChI=1S/C27H25ClN4O4S/c1-19-16-25(20(2)15-22(19)28)37(35,36)27(18-31-23-11-3-4-12-24(23)32(27)34)17-26(33)30-14-8-6-10-21-9-5-7-13-29-21/h3-5,7,9,11-13,15-16H,8,14,17-18H2,1-2H3,(H,30,33)