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

Systemtic Name: propyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: propyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[oxo-(4-phenylbutylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid propyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCCC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCCC3=CC=CC=C3

InChI

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