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

Systemtic Name: (phenylmethyl) 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(isovalerylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid benzyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=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)CC(=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/C27H29N3O6S/c1-19(2)16-25(31)28-15-14-20-8-11-23(12-9-20)37(34,35)30-26(32)22-10-13-24(29-17-22)27(33)36-18-21-6-4-3-5-7-21/h3-13,17,19H,14-16,18H2,1-2H3,(H,28,31)(H,30,32)