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

Systemtic Name: 3-[4-[[4-chloranyl-2-(2-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonyl-phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-chloro-2-(2-methyl-1-oxido-pyridin-1-ium-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-chloro-2-[(2-methyl-1-oxido-3-pyridin-1-iumyl)-oxomethyl]phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-chloro-2-(2-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=C(C=CC=[N+]1[O-])C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC=[N+]1[O-])C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

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