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

Systemtic Name: 3-pentyl-5-[[3-[2-(2-phenoxyethanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 3-pentyl-5-[[3-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[oxo-[[3-[2-[(1-oxo-2-phenoxyethyl)amino]ethyl]phenyl]sulfonylamino]methyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 3-pentyl-5-[[3-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[3-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]picolinic acid Formula: C28H31N3O7S MolecularWeight: 553.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)CCNC(=O)COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)CCNC(=O)COC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H31N3O7S/c1-2-3-5-10-21-17-22(18-30-26(21)28(34)35)27(33)31-39(36,37)24-13-8-9-20(16-24)14-15-29-25(32)19-38-23-11-6-4-7-12-23/h4,6-9,11-13,16-18H,2-3,5,10,14-15,19H2,1H3,(H,29,32)(H,31,33)(H,34,35)