cyclohexyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: cyclohexyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: cyclohexyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[4-[2-[(3-methyl-1-oxobutyl)amino]ethyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(isovalerylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid cyclohexyl ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O6S/c1-18(2)16-24(30)27-15-14-19-8-11-22(12-9-19)36(33,34)29-25(31)20-10-13-23(28-17-20)26(32)35-21-6-4-3-5-7-21/h8-13,17-18,21H,3-7,14-16H2,1-2H3,(H,27,30)(H,29,31)