[4-[(Z)-2-cyano-3-oxidanylidene-but-1-enyl]-2-(methylsulfamoyloxy)phenyl] N-methylsulfamate

Systemtic Name: [4-[(Z)-2-cyano-3-oxidanylidene-but-1-enyl]-2-(methylsulfamoyloxy)phenyl] N-methylsulfamate Openeye Name: [4-[(Z)-2-cyano-3-oxo-but-1-enyl]-2-(methylsulfamoyloxy)phenyl] N-methylsulfamate CAS Name: N-methylsulfamic acid [4-[(Z)-2-cyano-3-oxobut-1-enyl]-2-(methylsulfamoyloxy)phenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-oxobut-1-enyl]-2-(methylsulfamoyloxy)phenyl] N-methylsulfamate Traditional Name: N-methylsulfamic acid [4-[(Z)-2-cyano-3-keto-but-1-enyl]-2-(methylsulfamoyloxy)phenyl] ester Formula: C13H15N3O7S2 MolecularWeight: 389.4041

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=C(C=C1)OS(=O)(=O)NC)OS(=O)(=O)NC)C#N

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=C(C=C1)OS(=O)(=O)NC)OS(=O)(=O)NC)/C#N

InChI

InChI=1S/C13H15N3O7S2/c1-9(17)11(8-14)6-10-4-5-12(22-24(18,19)15-2)13(7-10)23-25(20,21)16-3/h4-7,15-16H,1-3H3/b11-6-