[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-methylsulfonylbenzoate

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-methylsulfonylbenzoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C18H16FN5O4S MolecularWeight: 417.414143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C18H16FN5O4S/c1-29(26,27)14-5-3-2-4-13(14)16(25)28-10-15-22-17(20)24-18(23-15)21-12-8-6-11(19)7-9-12/h2-9H,10H2,1H3,(H3,20,21,22,23,24)