5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-(1-oxobutylamino)ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylate IUPAC Name: 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-(2-butyramidoethyl)phenyl]sulfonylcarbamoyl]picolinate Formula: C19H20N3O6S- MolecularWeight: 418.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-2-3-17(23)20-11-10-13-4-7-15(8-5-13)29(27,28)22-18(24)14-6-9-16(19(25)26)21-12-14/h4-9,12H,2-3,10-11H2,1H3,(H,20,23)(H,22,24)(H,25,26)/p-1