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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25N3O6S/c1-3-4-5-6-12-22-19(25)15-8-7-9-17(13-15)31(28,29)24-20(26)16-10-11-18(23-14-16)21(27)30-2/h7-11,13-14H,3-6,12H2,1-2H3,(H,22,25)(H,24,26)