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

Systemtic Name: (phenylmethyl) 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(4-methylpentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid benzyl ester Formula: C28H31N3O6S MolecularWeight: 537.62724

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC(=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/C28H31N3O6S/c1-20(2)8-15-26(32)29-17-16-21-9-12-24(13-10-21)38(35,36)31-27(33)23-11-14-25(30-18-23)28(34)37-19-22-6-4-3-5-7-22/h3-7,9-14,18,20H,8,15-17,19H2,1-2H3,(H,29,32)(H,31,33)