phenyl 8-bromanyl-1-chloranyl-5-methyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonate

Systemtic Name: phenyl 8-bromanyl-1-chloranyl-5-methyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonate Openeye Name: phenyl 11-(benzenesulfonyl)-8-bromo-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonate CAS Name: 11-(benzenesulfonyl)-8-bromo-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonic acid phenyl ester IUPAC Name: phenyl 11-(benzenesulfonyl)-8-bromo-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonate Traditional Name: 11-besyl-8-bromo-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonic acid phenyl ester Formula: C25H18BrClN4O5S2 MolecularWeight: 633.92122

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)Br)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)Br)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C25H18BrClN4O5S2/c1-31-23-16(12-17(26)14-20(23)38(34,35)36-18-8-4-2-5-9-18)13-21(30-22-24(27)28-15-29-25(22)31)37(32,33)19-10-6-3-7-11-19/h2-12,14-15H,13H2,1H3