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

Systemtic Name: methyl 5-[[4-[(pentanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[[4-[(pentanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[(1-oxopentylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(pentanoylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[(valerylamino)methyl]phenyl]sulfonylcarbamoyl]picolinic acid methyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-3-4-5-18(24)22-12-14-6-9-16(10-7-14)30(27,28)23-19(25)15-8-11-17(21-13-15)20(26)29-2/h6-11,13H,3-5,12H2,1-2H3,(H,22,24)(H,23,25)