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

Systemtic Name: phenyl 1-chloranyl-6-methoxy-5-methyl-8-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate Openeye Name: phenyl 8-(benzenesulfonyl)-1-chloro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate CAS Name: 8-(benzenesulfonyl)-1-chloro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonic acid phenyl ester IUPAC Name: phenyl 8-(benzenesulfonyl)-1-chloro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate Traditional Name: 8-besyl-1-chloro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonic acid phenyl ester Formula: C26H21ClN4O6S2 MolecularWeight: 585.05114

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)OC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H21ClN4O6S2/c1-31-24-17(13-20(15-21(24)36-2)38(32,33)19-11-7-4-8-12-19)14-22(30-23-25(27)28-16-29-26(23)31)39(34,35)37-18-9-5-3-6-10-18/h3-13,15-16H,14H2,1-2H3