[2-methyl-5-[(4-methyl-3-sulfamoyloxy-phenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate

Systemtic Name: [2-methyl-5-[(4-methyl-3-sulfamoyloxy-phenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate Openeye Name: [2-methyl-5-[(4-methyl-3-sulfamoyloxy-phenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate CAS Name: sulfamic acid [2-methyl-5-[(4-methyl-3-sulfamoyloxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] ester IUPAC Name: [2-methyl-5-[(4-methyl-3-sulfamoyloxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate Traditional Name: sulfamic acid [2-methyl-5-[(4-methyl-3-sulfamoyloxy-phenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] ester Formula: C17H19N5O6S2 MolecularWeight: 453.49266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C)OS(=O)(=O)N)N3C=NC=N3)OS(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C)OS(=O)(=O)N)N3C=NC=N3)OS(=O)(=O)N

InChI

InChI=1S/C17H19N5O6S2/c1-11-3-5-13(7-15(11)27-29(18,23)24)17(22-10-20-9-21-22)14-6-4-12(2)16(8-14)28-30(19,25)26/h3-10,17H,1-2H3,(H2,18,23,24)(H2,19,25,26)