5-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid

Systemtic Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid Openeye Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid CAS Name: 5-[[[4-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[4-(homoveratrylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C29H33N3O8S MolecularWeight: 583.65262

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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)NCCC3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O8S/c1-4-5-6-7-21-17-22(18-31-26(21)29(35)36)28(34)32-41(37,38)23-11-9-20(10-12-23)27(33)30-15-14-19-8-13-24(39-2)25(16-19)40-3/h8-13,16-18H,4-7,14-15H2,1-3H3,(H,30,33)(H,32,34)(H,35,36)