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

Systemtic Name: 2-[2-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-1-oxidanidyl-3H-quinoxalin-1-ium-2-yl]-N-(2-piperidin-4-ylethyl)ethanamide Openeye Name: 2-[2-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-[2-(4-piperidyl)ethyl]acetamide CAS Name: 2-[2-(4-chloro-2,5-dimethylphenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-[2-(4-piperidinyl)ethyl]acetamide IUPAC Name: 2-[2-(4-chloro-2,5-dimethylphenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-(2-piperidin-4-ylethyl)acetamide Traditional Name: 2-[2-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-[2-(4-piperidyl)ethyl]acetamide Formula: C25H31ClN4O4S MolecularWeight: 519.05604

Click to see the large picture

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)NCCC4CCNCC4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C2(CN=C3C=CC=CC3=[N+]2[O-])CC(=O)NCCC4CCNCC4

InChI

InChI=1S/C25H31ClN4O4S/c1-17-14-23(18(2)13-20(17)26)35(33,34)25(16-29-21-5-3-4-6-22(21)30(25)32)15-24(31)28-12-9-19-7-10-27-11-8-19/h3-6,13-14,19,27H,7-12,15-16H2,1-2H3,(H,28,31)