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

Systemtic Name: (E)-4-[2-(methylsulfamoyl)ethyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[2-(methylsulfamoyl)ethyl-(3-pyridylmethyl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-(methylsulfamoyl)ethyl-(3-pyridinylmethyl)amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[2-(methylsulfamoyl)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[2-(methylsulfamoyl)ethyl-(3-pyridylmethyl)amino]but-2-enoate Formula: C13H16N3O5S- MolecularWeight: 326.34824

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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)/p-1/b5-4+