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

Systemtic Name: methyl 2-[(4-butoxy-6-phenyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(4-butoxy-6-phenyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[(4-butoxy-6-phenyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-butoxy-6-phenyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[(4-butoxy-6-phenyl-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O6S/c1-3-4-14-33-22-24-18(15-10-6-5-7-11-15)23-20(26-22)25-21(29)27-34(30,31)17-13-9-8-12-16(17)19(28)32-2/h5-13H,3-4,14H2,1-2H3,(H2,23,24,25,26,27,29)