methyl 5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carboxylate

Systemtic Name: methyl 5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carboxylate Openeye Name: methyl 5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carboxylate CAS Name: 5-[oxo-(4-phenylbutylsulfonylamino)methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carboxylate Traditional Name: 5-(4-phenylbutylsulfonylcarbamoyl)picolinic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)CCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)CCCCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O5S/c1-25-18(22)16-11-10-15(13-19-16)17(21)20-26(23,24)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,20,21)