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

Systemtic Name: pentyl 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid amyl ester Formula: C26H35N3O6S MolecularWeight: 517.6376

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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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O6S/c1-4-5-6-17-35-26(32)23-13-10-21(18-28-23)25(31)29-36(33,34)22-11-8-20(9-12-22)15-16-27-24(30)14-7-19(2)3/h8-13,18-19H,4-7,14-17H2,1-3H3,(H,27,30)(H,29,31)