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

Systemtic Name: 5-[[3-[2-(3-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid Openeye Name: 5-[[3-[2-(3-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid CAS Name: 5-[[[3-[[2-(3-methoxyphenyl)ethylamino]-oxomethyl]phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[3-[2-(3-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[3-[2-(3-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]picolinic acid Formula: C28H31N3O7S MolecularWeight: 553.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC(=CC=C3)OC)C(=O)O

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C28H31N3O7S/c1-3-4-5-9-20-16-22(18-30-25(20)28(34)35)27(33)31-39(36,37)24-12-7-10-21(17-24)26(32)29-14-13-19-8-6-11-23(15-19)38-2/h6-8,10-12,15-18H,3-5,9,13-14H2,1-2H3,(H,29,32)(H,31,33)(H,34,35)