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

Systemtic Name: 5-[[4-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid Openeye Name: 5-[[4-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid CAS Name: 5-[[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-oxomethyl]-4-heptyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]-4-heptylpyridine-2-carboxylic acid Traditional Name: 5-[[4-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]-4-heptyl-picolinic acid Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C)C(=O)O

InChI

InChI=1S/C24H31N3O6S/c1-3-4-5-6-7-8-19-15-22(24(30)31)26-16-21(19)23(29)27-34(32,33)20-11-9-18(10-12-20)13-14-25-17(2)28/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,25,28)(H,27,29)(H,30,31)