oxiran-2-ylmethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: oxiran-2-ylmethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: oxiran-2-ylmethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid 2-oxiranylmethyl ester IUPAC Name: oxiran-2-ylmethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[(4,6-dimethoxy-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid glycidyl ester Formula: C16H17N5O8S MolecularWeight: 439.39988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCC3CO3)OC

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCC3CO3)OC

InChI

InChI=1S/C16H17N5O8S/c1-26-15-18-13(19-16(20-15)27-2)17-14(23)21-30(24,25)11-6-4-3-5-10(11)12(22)29-8-9-7-28-9/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20,21,23)