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

Systemtic Name: methyl 5-[[4-[(butanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[[4-[(butanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[(1-oxobutylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(butanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-(butyramidomethyl)phenyl]sulfonylcarbamoyl]picolinic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H21N3O6S/c1-3-4-17(23)21-11-13-5-8-15(9-6-13)29(26,27)22-18(24)14-7-10-16(20-12-14)19(25)28-2/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)(H,22,24)