6-[(2,5-dimethylphenyl)-methyl-sulfamoyl]-4-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-3-carboxamide

Systemtic Name: 6-[(2,5-dimethylphenyl)-methyl-sulfamoyl]-4-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-3-carboxamide Openeye Name: 6-[(2,5-dimethylphenyl)-methyl-sulfamoyl]-4-oxo-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-3-carboxamide CAS Name: 6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-N-(3-pyridin-1-iumylmethyl)-1H-quinoline-3-carboxamide IUPAC Name: 6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-3-carboxamide Traditional Name: 6-[(2,5-dimethylphenyl)-methyl-sulfamoyl]-4-keto-N-(pyridin-1-ium-3-ylmethyl)-1H-quinoline-3-carboxamide Formula: C25H25N4O4S+ MolecularWeight: 477.5554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C25H24N4O4S/c1-16-6-7-17(2)23(11-16)29(3)34(32,33)19-8-9-22-20(12-19)24(30)21(15-27-22)25(31)28-14-18-5-4-10-26-13-18/h4-13,15H,14H2,1-3H3,(H,27,30)(H,28,31)/p+1