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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-bromanyl-5-(cyclopropylsulfamoyl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-bromo-5-(cyclopropylsulfamoyl)benzoate CAS Name: 2-bromo-5-(cyclopropylsulfamoyl)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 2-bromo-5-(cyclopropylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H19BrN6O4S MolecularWeight: 519.37166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C20H19BrN6O4S/c21-16-9-8-14(32(29,30)27-13-6-7-13)10-15(16)18(28)31-11-17-24-19(22)26-20(25-17)23-12-4-2-1-3-5-12/h1-5,8-10,13,27H,6-7,11H2,(H3,22,23,24,25,26)