5-[[3-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[[3-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[[3-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[oxo-[[3-[2-(1-oxobutylamino)ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[[3-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 5-[[3-(2-butyramidoethyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-2-4-17(23)20-10-9-13-5-3-6-15(11-13)29(27,28)22-18(24)14-7-8-16(19(25)26)21-12-14/h3,5-8,11-12H,2,4,9-10H2,1H3,(H,20,23)(H,22,24)(H,25,26)