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

Systemtic Name: 4-heptyl-5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 4-heptyl-5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 4-heptyl-5-[oxo-[[4-[oxo-(4-phenylbutylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylate IUPAC Name: 4-heptyl-5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 4-heptyl-5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinate Formula: C31H36N3O6S- MolecularWeight: 578.69904

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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)NCCCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C31H37N3O6S/c1-2-3-4-5-9-15-25-21-28(31(37)38)33-22-27(25)30(36)34-41(39,40)26-18-16-24(17-19-26)29(35)32-20-11-10-14-23-12-7-6-8-13-23/h6-8,12-13,16-19,21-22H,2-5,9-11,14-15,20H2,1H3,(H,32,35)(H,34,36)(H,37,38)/p-1