4-[2-(methylsulfamoyl)ethyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(methylsulfamoyl)ethyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(methylsulfamoyl)ethyl-(3-pyridylmethyl)amino]-4-oxo-butanoic acid CAS Name: 4-[2-(methylsulfamoyl)ethyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[2-(methylsulfamoyl)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-(methylsulfamoyl)ethyl-(3-pyridylmethyl)amino]butyric acid Formula: C13H19N3O5S MolecularWeight: 329.37206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CCN(CC1=CN=CC=C1)C(=O)CCC(=O)O

Isomeric SMILES

CNS(=O)(=O)CCN(CC1=CN=CC=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C13H19N3O5S/c1-14-22(20,21)8-7-16(12(17)4-5-13(18)19)10-11-3-2-6-15-9-11/h2-3,6,9,14H,4-5,7-8,10H2,1H3,(H,18,19)