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

Systemtic Name: methyl 3-[4-[[4-chloranyl-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonyl-phenyl]sulfamoyl]phenyl]propanoate Openeye Name: methyl 3-[4-[[4-chloro-2-(6-methyl-1-oxido-pyridin-1-ium-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[[4-chloro-2-[(6-methyl-1-oxido-3-pyridin-1-iumyl)-oxomethyl]phenyl]sulfamoyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[4-chloro-2-(6-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[[4-chloro-2-(6-methyl-1-oxido-pyridin-1-ium-3-carbonyl)phenyl]sulfamoyl]phenyl]propionic acid methyl ester Formula: C23H21ClN2O6S MolecularWeight: 488.94064

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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)OC)[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)OC)[O-]

InChI

InChI=1S/C23H21ClN2O6S/c1-15-3-7-17(14-26(15)29)23(28)20-13-18(24)8-11-21(20)25-33(30,31)19-9-4-16(5-10-19)6-12-22(27)32-2/h3-5,7-11,13-14,25H,6,12H2,1-2H3