propyl 5-[[3-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: propyl 5-[[3-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: propyl 5-[[3-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[3-[butylamino(oxo)methyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 5-[[3-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[3-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid propyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OCCC

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OCCC

InChI

InChI=1S/C21H25N3O6S/c1-3-5-11-22-19(25)15-7-6-8-17(13-15)31(28,29)24-20(26)16-9-10-18(23-14-16)21(27)30-12-4-2/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,25)(H,24,26)