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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxybenzoic 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 3-(cyclopropylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopropylsulfamoyl)-4-methoxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)S(=O)(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)S(=O)(=O)NC4CC4

InChI

InChI=1S/C21H22N6O5S/c1-31-16-10-7-13(11-17(16)33(29,30)27-15-8-9-15)19(28)32-12-18-24-20(22)26-21(25-18)23-14-5-3-2-4-6-14/h2-7,10-11,15,27H,8-9,12H2,1H3,(H3,22,23,24,25,26)