methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl]-3-sulfamoyl-benzoate

Systemtic Name: methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl]-3-sulfamoyl-benzoate Openeye Name: methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl]-3-sulfamoyl-benzoate CAS Name: 2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-oxomethyl]-3-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl]-3-sulfamoylbenzoate Traditional Name: 2-[[4-ethoxy-6-(methylamino)-s-triazin-2-yl]carbamoyl]-3-sulfamoyl-benzoic acid methyl ester Formula: C15H18N6O6S MolecularWeight: 410.40502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=N1)NC)NC(=O)C2=C(C=CC=C2S(=O)(=O)N)C(=O)OC

Isomeric SMILES

CCOC1=NC(=NC(=N1)NC)NC(=O)C2=C(C=CC=C2S(=O)(=O)N)C(=O)OC

InChI

InChI=1S/C15H18N6O6S/c1-4-27-15-20-13(17-2)19-14(21-15)18-11(22)10-8(12(23)26-3)6-5-7-9(10)28(16,24)25/h5-7H,4H2,1-3H3,(H2,16,24,25)(H2,17,18,19,20,21,22)