methyl 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-(1-oxopentylamino)ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(valerylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25N3O6S/c1-3-4-5-19(25)22-13-12-15-6-9-17(10-7-15)31(28,29)24-20(26)16-8-11-18(23-14-16)21(27)30-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,25)(H,24,26)