4-[[4-fluoranyl-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-fluoranyl-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-fluoro-6-(2-naphthylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 4-[[4-fluoro-6-(2-naphthalenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-fluoro-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[4-fluoro-6-(2-naphthylamino)-s-triazin-2-yl]amino]besylic acid Formula: C19H14FN5O3S MolecularWeight: 411.409563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)O)F

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)O)F

InChI

InChI=1S/C19H14FN5O3S/c20-17-23-18(21-14-7-9-16(10-8-14)29(26,27)28)25-19(24-17)22-15-6-5-12-3-1-2-4-13(12)11-15/h1-11H,(H,26,27,28)(H2,21,22,23,24,25)