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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-ethylsulfonylbenzoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic 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-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C19H18FN5O4S MolecularWeight: 431.440723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN5O4S/c1-2-30(27,28)15-6-4-3-5-14(15)17(26)29-11-16-23-18(21)25-19(24-16)22-13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H3,21,22,23,24,25)