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

Systemtic Name: cyclohexyl 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: cyclohexyl 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[4-[2-[(4-methyl-1-oxopentyl)amino]ethyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid cyclohexyl ester Formula: C27H35N3O6S MolecularWeight: 529.6483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O6S/c1-19(2)8-15-25(31)28-17-16-20-9-12-23(13-10-20)37(34,35)30-26(32)21-11-14-24(29-18-21)27(33)36-22-6-4-3-5-7-22/h9-14,18-19,22H,3-8,15-17H2,1-2H3,(H,28,31)(H,30,32)