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

Systemtic Name: 2-[2-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-1-oxidanidyl-3H-quinoxalin-1-ium-2-yl]-N-(2-pyridin-4-ylpiperidin-4-yl)ethanamide Openeye Name: 2-[2-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-[2-(4-pyridyl)-4-piperidyl]acetamide CAS Name: 2-[2-(4-chloro-2,5-dimethylphenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-(2-pyridin-4-yl-4-piperidinyl)acetamide IUPAC Name: 2-[2-(4-chloro-2,5-dimethylphenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-(2-pyridin-4-ylpiperidin-4-yl)acetamide Traditional Name: 2-[2-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-1-oxido-3H-quinoxalin-1-ium-2-yl]-N-[2-(4-pyridyl)-4-piperidyl]acetamide Formula: C28H30ClN5O4S MolecularWeight: 568.0869

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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)NC4CCNC(C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C2(CN=C3C=CC=CC3=[N+]2[O-])CC(=O)NC4CCNC(C4)C5=CC=NC=C5

InChI

InChI=1S/C28H30ClN5O4S/c1-18-14-26(19(2)13-22(18)29)39(37,38)28(17-32-23-5-3-4-6-25(23)34(28)36)16-27(35)33-21-9-12-31-24(15-21)20-7-10-30-11-8-20/h3-8,10-11,13-14,21,24,31H,9,12,15-17H2,1-2H3,(H,33,35)