(E)-4-[2-(methylsulfamoyl)ethyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-(methylsulfamoyl)ethyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(methylsulfamoyl)ethyl-(3-pyridylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-(methylsulfamoyl)ethyl-(3-pyridinylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(methylsulfamoyl)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[2-(methylsulfamoyl)ethyl-(3-pyridylmethyl)amino]but-2-enoic acid Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5S/c1-14-22(20,21)8-7-16(12(17)4-5-13(18)19)10-11-3-2-6-15-9-11/h2-6,9,14H,7-8,10H2,1H3,(H,18,19)/b5-4+