[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]phenyl] methanesulfonate

Systemtic Name: [2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]phenyl] methanesulfonate Openeye Name: [2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]phenyl] ester IUPAC Name: [2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[4-ethoxy-6-(methylamino)-s-triazin-2-yl]carbamoylsulfamoyl]phenyl] ester Formula: C14H18N6O7S2 MolecularWeight: 446.45872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OS(=O)(=O)C

Isomeric SMILES

CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OS(=O)(=O)C

InChI

InChI=1S/C14H18N6O7S2/c1-4-26-14-18-11(15-2)16-12(19-14)17-13(21)20-29(24,25)10-8-6-5-7-9(10)27-28(3,22)23/h5-8H,4H2,1-3H3,(H3,15,16,17,18,19,20,21)