3-[4-[[4-chloranyl-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonyl-phenyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-chloranyl-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonyl-phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-chloro-2-(6-methyl-1-oxido-pyridin-1-ium-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-chloro-2-[(6-methyl-1-oxido-3-pyridin-1-iumyl)-oxomethyl]phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-chloro-2-(6-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-chloro-2-(6-methyl-1-oxido-pyridin-1-ium-3-carbonyl)phenyl]sulfamoyl]phenyl]propionic acid Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)[O-]

InChI

InChI=1S/C22H19ClN2O6S/c1-14-2-6-16(13-25(14)29)22(28)19-12-17(23)7-10-20(19)24-32(30,31)18-8-3-15(4-9-18)5-11-21(26)27/h2-4,6-10,12-13,24H,5,11H2,1H3,(H,26,27)