propyl 5-[[3-(4-phenylbutanoylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: propyl 5-[[3-(4-phenylbutanoylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: propyl 5-[[3-(4-phenylbutanoylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[3-[oxo-[(1-oxo-4-phenylbutyl)amino]methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 5-[[3-(4-phenylbutanoylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[3-(4-phenylbutanoylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid propyl ester Formula: C27H27N3O7S MolecularWeight: 537.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O7S/c1-2-16-37-27(34)23-15-14-21(18-28-23)26(33)30-38(35,36)22-12-7-11-20(17-22)25(32)29-24(31)13-6-10-19-8-4-3-5-9-19/h3-5,7-9,11-12,14-15,17-18H,2,6,10,13,16H2,1H3,(H,30,33)(H,29,31,32)