methyl 4-isocyanato-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 4-isocyanato-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 4-isocyanato-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 4-isocyanato-2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-isocyanato-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 4-isocyanato-2-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester Formula: C15H14N6O7S MolecularWeight: 422.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)N=C=O)C(=O)OC

Isomeric SMILES

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)N=C=O)C(=O)OC

InChI

InChI=1S/C15H14N6O7S/c1-8-17-13(20-15(18-8)28-3)19-14(24)21-29(25,26)11-6-9(16-7-22)4-5-10(11)12(23)27-2/h4-6H,1-3H3,(H2,17,18,19,20,21,24)