cyclohexyl 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: cyclohexyl 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: cyclohexyl 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-(1-oxopentylamino)ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(valerylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid cyclohexyl ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CCCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C26H33N3O6S/c1-2-3-9-24(30)27-17-16-19-10-13-22(14-11-19)36(33,34)29-25(31)20-12-15-23(28-18-20)26(32)35-21-7-5-4-6-8-21/h10-15,18,21H,2-9,16-17H2,1H3,(H,27,30)(H,29,31)