pentyl 5-[[4-[2-(3-cyclohexylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: pentyl 5-[[4-[2-(3-cyclohexylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: pentyl 5-[[4-[2-(3-cyclohexylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[4-[2-[(3-cyclohexyl-1-oxopropyl)amino]ethyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid pentyl ester IUPAC Name: pentyl 5-[[4-[2-(3-cyclohexylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(3-cyclohexylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid amyl ester Formula: C29H39N3O6S MolecularWeight: 557.70146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCC3CCCCC3

Isomeric SMILES

CCCCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCC3CCCCC3

InChI

InChI=1S/C29H39N3O6S/c1-2-3-7-20-38-29(35)26-16-13-24(21-31-26)28(34)32-39(36,37)25-14-10-23(11-15-25)18-19-30-27(33)17-12-22-8-5-4-6-9-22/h10-11,13-16,21-22H,2-9,12,17-20H2,1H3,(H,30,33)(H,32,34)