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

Systemtic Name: 5-[[4-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid Openeye Name: 5-[[4-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid CAS Name: 5-[[[4-[(cyclohexylamino)-oxomethyl]phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[4-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C25H31N3O6S MolecularWeight: 501.59514

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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)NC3CCCCC3)C(=O)O

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCCCC3)C(=O)O

InChI

InChI=1S/C25H31N3O6S/c1-2-3-5-8-18-15-19(16-26-22(18)25(31)32)24(30)28-35(33,34)21-13-11-17(12-14-21)23(29)27-20-9-6-4-7-10-20/h11-16,20H,2-10H2,1H3,(H,27,29)(H,28,30)(H,31,32)