methyl 3-[4-[(4-chloranyl-2-pyridin-3-ylcarbonyl-phenyl)sulfamoyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[(4-chloranyl-2-pyridin-3-ylcarbonyl-phenyl)sulfamoyl]phenyl]propanoate Openeye Name: methyl 3-[4-[[4-chloro-2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[[4-chloro-2-[oxo(3-pyridinyl)methyl]phenyl]sulfamoyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[4-chloro-2-(pyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[(4-chloro-2-nicotinoyl-phenyl)sulfamoyl]phenyl]propionic acid methyl ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H19ClN2O5S/c1-30-21(26)11-6-15-4-8-18(9-5-15)31(28,29)25-20-10-7-17(23)13-19(20)22(27)16-3-2-12-24-14-16/h2-5,7-10,12-14,25H,6,11H2,1H3