ethyl [3-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridin-2-yl] carbonate

Systemtic Name: ethyl [3-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridin-2-yl] carbonate Openeye Name: ethyl [3-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridyl] carbonate CAS Name: carbonic acid ethyl [3-[oxo-[[4-[oxo-(4-phenylbutylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinyl] ester IUPAC Name: ethyl [3-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridin-2-yl] carbonate Traditional Name: carbonic acid ethyl [3-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridyl] ester Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=CC=N1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)OC1=C(C=CC=N1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O7S/c1-2-35-26(32)36-25-22(12-8-18-28-25)24(31)29-37(33,34)21-15-13-20(14-16-21)23(30)27-17-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-16,18H,2,6-7,11,17H2,1H3,(H,27,30)(H,29,31)