3-pentyl-5-(phenylsulfonylcarbamoyl)pyridine-2-carboxylate

Systemtic Name: 3-pentyl-5-(phenylsulfonylcarbamoyl)pyridine-2-carboxylate Openeye Name: 5-(benzenesulfonylcarbamoyl)-3-pentyl-pyridine-2-carboxylate CAS Name: 5-[benzenesulfonamido(oxo)methyl]-3-pentyl-2-pyridinecarboxylate IUPAC Name: 5-(benzenesulfonylcarbamoyl)-3-pentylpyridine-2-carboxylate Traditional Name: 3-amyl-5-(besylcarbamoyl)picolinate Formula: C18H19N2O5S- MolecularWeight: 375.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-2-3-5-8-13-11-14(12-19-16(13)18(22)23)17(21)20-26(24,25)15-9-6-4-7-10-15/h4,6-7,9-12H,2-3,5,8H2,1H3,(H,20,21)(H,22,23)/p-1