[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]phenyl] methanesulfonate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]phenyl] methanesulfonate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoylmethyl]phenyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]phenyl] ester Formula: C15H18N4O8S2 MolecularWeight: 446.45542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2OS(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2OS(=O)(=O)C)OC

InChI

InChI=1S/C15H18N4O8S2/c1-25-12-8-13(26-2)17-14(16-12)18-15(20)19-29(23,24)9-10-6-4-5-7-11(10)27-28(3,21)22/h4-8H,9H2,1-3H3,(H2,16,17,18,19,20)