(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C25H22N6O6S MolecularWeight: 534.54378

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C25H22N6O6S/c26-24-28-22(29-25(30-24)27-17-4-2-1-3-5-17)15-37-23(32)16-6-8-18(9-7-16)31-38(33,34)19-10-11-20-21(14-19)36-13-12-35-20/h1-11,14,31H,12-13,15H2,(H3,26,27,28,29,30)