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

Systemtic Name: 5-[[3-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid Openeye Name: 5-[[3-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid CAS Name: 5-[[[3-(2-acetamidoethyl)phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[3-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid Traditional Name: 5-[[3-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]-3-amyl-picolinic acid Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)CCNC(=O)C)C(=O)O

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)CCNC(=O)C)C(=O)O

InChI

InChI=1S/C22H27N3O6S/c1-3-4-5-8-17-13-18(14-24-20(17)22(28)29)21(27)25-32(30,31)19-9-6-7-16(12-19)10-11-23-15(2)26/h6-7,9,12-14H,3-5,8,10-11H2,1-2H3,(H,23,26)(H,25,27)(H,28,29)