2-[(4-ethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate; methanamine

Systemtic Name: 2-[(4-ethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate; methanamine Openeye Name: 2-[(4-ethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate; methanamine CAS Name: 2-[[[(4-ethoxy-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoate; methanamine IUPAC Name: 2-[(4-ethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate; methanamine Traditional Name: 2-[(4-ethoxy-s-triazin-2-yl)carbamoylsulfamoyl]benzoate; methylamine Formula: C14H17N6O6S- MolecularWeight: 397.38638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-].CN

Isomeric SMILES

CCOC1=NC=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-].CN

InChI

InChI=1S/C13H13N5O6S.CH5N/c1-2-24-13-15-7-14-11(17-13)16-12(21)18-25(22,23)9-6-4-3-5-8(9)10(19)20;1-2/h3-7H,2H2,1H3,(H,19,20)(H2,14,15,16,17,18,21);2H2,1H3/p-1