(phenylmethyl) 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: (phenylmethyl) 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: benzyl 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-(1-oxobutylamino)ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-(2-butyramidoethyl)phenyl]sulfonylcarbamoyl]picolinic acid benzyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O6S/c1-2-6-24(30)27-16-15-19-9-12-22(13-10-19)36(33,34)29-25(31)21-11-14-23(28-17-21)26(32)35-18-20-7-4-3-5-8-20/h3-5,7-14,17H,2,6,15-16,18H2,1H3,(H,27,30)(H,29,31)