N-[3-[6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]quinolin-8-yl]phenyl]benzenesulfonamide

Systemtic Name: N-[3-[6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]quinolin-8-yl]phenyl]benzenesulfonamide Openeye Name: N-[3-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]-8-quinolyl]phenyl]benzenesulfonamide CAS Name: N-[3-[6-[(1-oxido-4-pyridin-1-iumyl)methyl]-8-quinolinyl]phenyl]benzenesulfonamide IUPAC Name: N-[3-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]quinolin-8-yl]phenyl]benzenesulfonamide Traditional Name: N-[3-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]-8-quinolyl]phenyl]benzenesulfonamide Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=C4C(=CC(=C3)CC5=CC=[N+](C=C5)[O-])C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=C4C(=CC(=C3)CC5=CC=[N+](C=C5)[O-])C=CC=N4

InChI

InChI=1S/C27H21N3O3S/c31-30-14-11-20(12-15-30)16-21-17-23-7-5-13-28-27(23)26(18-21)22-6-4-8-24(19-22)29-34(32,33)25-9-2-1-3-10-25/h1-15,17-19,29H,16H2