6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-3-carboxamide

Systemtic Name: 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-3-carboxamide Openeye Name: 6-indolin-1-ylsulfonyl-4-oxo-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-3-carboxamide CAS Name: 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-N-(3-pyridin-1-iumylmethyl)-1H-quinoline-3-carboxamide IUPAC Name: 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-3-carboxamide Traditional Name: 6-indolin-1-ylsulfonyl-4-keto-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-3-carboxamide Formula: C24H21N4O4S+ MolecularWeight: 461.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)NCC5=C[NH+]=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)NCC5=C[NH+]=CC=C5

InChI

InChI=1S/C24H20N4O4S/c29-23-19-12-18(33(31,32)28-11-9-17-5-1-2-6-22(17)28)7-8-21(19)26-15-20(23)24(30)27-14-16-4-3-10-25-13-16/h1-8,10,12-13,15H,9,11,14H2,(H,26,29)(H,27,30)/p+1