3-methylbutan-2-yl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: 3-methylbutan-2-yl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 1,2-dimethylpropyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-[(1-oxo-3-phenylpropyl)amino]ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid 3-methylbutan-2-yl ester IUPAC Name: 3-methylbutan-2-yl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(hydrocinnamoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid 1,2-dimethylpropyl ester Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)OC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)OC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O6S/c1-20(2)21(3)38-29(35)26-15-12-24(19-31-26)28(34)32-39(36,37)25-13-9-23(10-14-25)17-18-30-27(33)16-11-22-7-5-4-6-8-22/h4-10,12-15,19-21H,11,16-18H2,1-3H3,(H,30,33)(H,32,34)