methyl 5-[[3-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[[3-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[[3-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[3-[oxo-(4-phenylbutylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[3-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid methyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O6S/c1-34-25(31)22-14-13-20(17-27-22)24(30)28-35(32,33)21-12-7-11-19(16-21)23(29)26-15-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,11-14,16-17H,5-6,10,15H2,1H3,(H,26,29)(H,28,30)