5-[[4-chloranyl-3-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[[4-chloranyl-3-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[[4-chloro-3-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[[[4-chloro-3-[oxo-(phenethylamino)methyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-chloro-3-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 5-[[4-chloro-3-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C22H18ClN3O6S MolecularWeight: 487.91282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC(=O)C3=CN=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC(=O)C3=CN=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C22H18ClN3O6S/c23-18-8-7-16(12-17(18)21(28)24-11-10-14-4-2-1-3-5-14)33(31,32)26-20(27)15-6-9-19(22(29)30)25-13-15/h1-9,12-13H,10-11H2,(H,24,28)(H,26,27)(H,29,30)