(3,4-dimethyl-1,2-oxazol-5-yl)-[4-[(2-pyridin-1-ium-2-ylquinolin-4-yl)carbonylamino]phenyl]sulfonyl-azanide

Systemtic Name: (3,4-dimethyl-1,2-oxazol-5-yl)-[4-[(2-pyridin-1-ium-2-ylquinolin-4-yl)carbonylamino]phenyl]sulfonyl-azanide Openeye Name: (3,4-dimethylisoxazol-5-yl)-[4-[(2-pyridin-1-ium-2-ylquinoline-4-carbonyl)amino]phenyl]sulfonyl-azanide CAS Name: (3,4-dimethyl-5-isoxazolyl)-[4-[[oxo-[2-(2-pyridin-1-iumyl)-4-quinolinyl]methyl]amino]phenyl]sulfonylazanide IUPAC Name: (3,4-dimethyl-1,2-oxazol-5-yl)-[4-[(2-pyridin-1-ium-2-ylquinoline-4-carbonyl)amino]phenyl]sulfonylazanide Traditional Name: (3,4-dimethylisoxazol-5-yl)-[4-[(2-pyridin-1-ium-2-ylquinoline-4-carbonyl)amino]phenyl]sulfonyl-azanide Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(ON=C1C)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H21N5O4S/c1-16-17(2)30-35-26(16)31-36(33,34)19-12-10-18(11-13-19)28-25(32)21-15-24(23-9-5-6-14-27-23)29-22-8-4-3-7-20(21)22/h3-15H,1-2H3,(H2,28,30,31,32)