4-heptyl-5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: 4-heptyl-5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 4-heptyl-5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 4-heptyl-5-[oxo-[[4-[oxo-(phenethylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylate IUPAC Name: 4-heptyl-5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 4-heptyl-5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinate Formula: C29H32N3O6S- MolecularWeight: 550.64588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C29H33N3O6S/c1-2-3-4-5-9-12-23-19-26(29(35)36)31-20-25(23)28(34)32-39(37,38)24-15-13-22(14-16-24)27(33)30-18-17-21-10-7-6-8-11-21/h6-8,10-11,13-16,19-20H,2-5,9,12,17-18H2,1H3,(H,30,33)(H,32,34)(H,35,36)/p-1