4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-N-(2,4,6-trimethylpyridin-1-ium-1-yl)benzamide

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-N-(2,4,6-trimethylpyridin-1-ium-1-yl)benzamide Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-N-(2,4,6-trimethylpyridin-1-ium-1-yl)benzamide CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoyl-N-(2,4,6-trimethyl-1-pyridin-1-iumyl)benzamide IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoyl-N-(2,4,6-trimethylpyridin-1-ium-1-yl)benzamide Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-N-(2,4,6-trimethylpyridin-1-ium-1-yl)benzamide Formula: C20H22ClN4O4S+ MolecularWeight: 449.93108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)NC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)NC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N)C

InChI

InChI=1S/C20H21ClN4O4S/c1-12-7-13(2)25(14(3)8-12)24-20(26)16-9-19(30(22,27)28)17(21)10-18(16)23-11-15-5-4-6-29-15/h4-10H,11H2,1-3H3,(H3-,22,23,24,26,27,28)/p+1