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

Systemtic Name: pentyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(isovalerylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid amyl ester Formula: C25H33N3O6S MolecularWeight: 503.61102

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O6S/c1-4-5-6-15-34-25(31)22-12-9-20(17-27-22)24(30)28-35(32,33)21-10-7-19(8-11-21)13-14-26-23(29)16-18(2)3/h7-12,17-18H,4-6,13-16H2,1-3H3,(H,26,29)(H,28,30)