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

Systemtic Name: [2-methoxy-4-[(3-methoxy-4-sulfamoyloxy-phenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate Openeye Name: [2-methoxy-4-[(3-methoxy-4-sulfamoyloxy-phenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate CAS Name: sulfamic acid [2-methoxy-4-[(3-methoxy-4-sulfamoyloxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(3-methoxy-4-sulfamoyloxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate Traditional Name: sulfamic acid [2-methoxy-4-[(3-methoxy-4-sulfamoyloxy-phenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] ester Formula: C17H19N5O8S2 MolecularWeight: 485.49146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)OS(=O)(=O)N)OC)N3C=NC=N3)OS(=O)(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)OS(=O)(=O)N)OC)N3C=NC=N3)OS(=O)(=O)N

InChI

InChI=1S/C17H19N5O8S2/c1-27-15-7-11(3-5-13(15)29-31(18,23)24)17(22-10-20-9-21-22)12-4-6-14(16(8-12)28-2)30-32(19,25)26/h3-10,17H,1-2H3,(H2,18,23,24)(H2,19,25,26)