3-pentyl-5-[[4-(propanoylamino)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: 3-pentyl-5-[[4-(propanoylamino)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 3-pentyl-5-[[4-(propanoylamino)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-(1-oxopropylamino)phenyl]sulfonylamino]methyl]-3-pentyl-2-pyridinecarboxylate IUPAC Name: 3-pentyl-5-[[4-(propanoylamino)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 3-amyl-5-[(4-propionamidophenyl)sulfonylcarbamoyl]picolinate Formula: C21H24N3O6S- MolecularWeight: 446.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC)C(=O)[O-]

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC)C(=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-3-5-6-7-14-12-15(13-22-19(14)21(27)28)20(26)24-31(29,30)17-10-8-16(9-11-17)23-18(25)4-2/h8-13H,3-7H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/p-1