[4-[(Z)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-sulfamoyloxy-phenyl] sulfamate

Systemtic Name: [4-[(Z)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-sulfamoyloxy-phenyl] sulfamate Openeye Name: [4-[(Z)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-sulfamoyloxy-phenyl] sulfamate CAS Name: sulfamic acid [4-[(Z)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-sulfamoyloxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-sulfamoyloxyphenyl] sulfamate Traditional Name: sulfamic acid [4-[(Z)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]-2-sulfamoyloxy-phenyl] ester Formula: C13H16N4O7S2 MolecularWeight: 404.41874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O7S2/c1-2-5-17-13(18)10(8-14)6-9-3-4-11(23-25(15,19)20)12(7-9)24-26(16,21)22/h3-4,6-7H,2,5H2,1H3,(H,17,18)(H2,15,19,20)(H2,16,21,22)/b10-6-