propyl 5-[[2-chloranyl-4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: propyl 5-[[2-chloranyl-4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: propyl 5-[[2-chloro-4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[2-chloro-4-[oxo-(phenethylamino)methyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 5-[[2-chloro-4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[2-chloro-4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid propyl ester Formula: C25H24ClN3O6S MolecularWeight: 529.99256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C25H24ClN3O6S/c1-2-14-35-25(32)21-10-8-19(16-28-21)24(31)29-36(33,34)22-11-9-18(15-20(22)26)23(30)27-13-12-17-6-4-3-5-7-17/h3-11,15-16H,2,12-14H2,1H3,(H,27,30)(H,29,31)