4-heptyl-5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 4-heptyl-5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 4-heptyl-5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 4-heptyl-5-[oxo-[[4-[oxo-(3-phenylpropylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid IUPAC Name: 4-heptyl-5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 4-heptyl-5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C30H35N3O6S MolecularWeight: 565.6804

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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)NCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C30H35N3O6S/c1-2-3-4-5-9-14-24-20-27(30(36)37)32-21-26(24)29(35)33-40(38,39)25-17-15-23(16-18-25)28(34)31-19-10-13-22-11-7-6-8-12-22/h6-8,11-12,15-18,20-21H,2-5,9-10,13-14,19H2,1H3,(H,31,34)(H,33,35)(H,36,37)