(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-chloranyl-3-(methylsulfamoyl)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-chloranyl-3-(methylsulfamoyl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-chloro-3-(methylsulfamoyl)benzoate CAS Name: 4-chloro-3-(methylsulfamoyl)benzoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-chloro-3-(methylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(methylsulfamoyl)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H17ClN6O4S MolecularWeight: 448.88338

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)Cl

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)Cl

InChI

InChI=1S/C18H17ClN6O4S/c1-21-30(27,28)14-9-11(7-8-13(14)19)16(26)29-10-15-23-17(20)25-18(24-15)22-12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H3,20,22,23,24,25)