1-chloranyl-8-fluoranyl-5-methyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol

Systemtic Name: 1-chloranyl-8-fluoranyl-5-methyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 11-(benzenesulfonyl)-1-chloro-8-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 11-(benzenesulfonyl)-1-chloro-8-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 11-(benzenesulfonyl)-1-chloro-8-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 11-besyl-1-chloro-8-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C19H14ClFN4O3S MolecularWeight: 432.855863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)F)O

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)F)O

InChI

InChI=1S/C19H14ClFN4O3S/c1-25-17-11(7-12(21)9-14(17)26)8-15(24-16-18(20)22-10-23-19(16)25)29(27,28)13-5-3-2-4-6-13/h2-7,9-10,26H,8H2,1H3