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

Systemtic Name: 5-[[4-(acetamidomethyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylate Openeye Name: 5-[[4-(acetamidomethyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylate CAS Name: 5-[[[4-(acetamidomethyl)phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylate IUPAC Name: 5-[[4-(acetamidomethyl)phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylate Traditional Name: 5-[[4-(acetamidomethyl)phenyl]sulfonylcarbamoyl]-3-amyl-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)CNC(=O)C)C(=O)[O-]

Isomeric SMILES

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

InChI

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