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

Systemtic Name: 3-pentyl-5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 3-pentyl-5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[oxo-[[4-[oxo-(3-phenylpropylamino)methyl]phenyl]sulfonylamino]methyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 3-pentyl-5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCC3=CC=CC=C3)C(=O)O

InChI

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