3-pentyl-5-[[3-[2-(2-phenylethanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: 3-pentyl-5-[[3-[2-(2-phenylethanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 3-pentyl-5-[[3-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[3-[2-[(1-oxo-2-phenylethyl)amino]ethyl]phenyl]sulfonylamino]methyl]-3-pentyl-2-pyridinecarboxylate IUPAC Name: 3-pentyl-5-[[3-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 3-amyl-5-[[3-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]picolinate Formula: C28H30N3O6S- MolecularWeight: 536.6193

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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)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)CCNC(=O)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C28H31N3O6S/c1-2-3-5-12-22-18-23(19-30-26(22)28(34)35)27(33)31-38(36,37)24-13-8-11-21(16-24)14-15-29-25(32)17-20-9-6-4-7-10-20/h4,6-11,13,16,18-19H,2-3,5,12,14-15,17H2,1H3,(H,29,32)(H,31,33)(H,34,35)/p-1