4-heptyl-5-[[4-[(phenylmethyl)carbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 4-heptyl-5-[[4-[(phenylmethyl)carbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[[4-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid CAS Name: 4-heptyl-5-[oxo-[[4-[oxo-[(phenylmethyl)amino]methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptylpyridine-2-carboxylic acid Traditional Name: 5-[[4-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptyl-picolinic acid Formula: C28H31N3O6S MolecularWeight: 537.62724

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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)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H31N3O6S/c1-2-3-4-5-9-12-22-17-25(28(34)35)29-19-24(22)27(33)31-38(36,37)23-15-13-21(14-16-23)26(32)30-18-20-10-7-6-8-11-20/h6-8,10-11,13-17,19H,2-5,9,12,18H2,1H3,(H,30,32)(H,31,33)(H,34,35)