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

Systemtic Name: 1-chloranyl-5-methyl-8,11-bis(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 8,11-bis(benzenesulfonyl)-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 8,11-bis(benzenesulfonyl)-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 8,11-bis(benzenesulfonyl)-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 8,11-dibesyl-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C25H19ClN4O5S2 MolecularWeight: 555.02516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClN4O5S2/c1-30-23-16(12-19(14-20(23)31)36(32,33)17-8-4-2-5-9-17)13-21(29-22-24(26)27-15-28-25(22)30)37(34,35)18-10-6-3-7-11-18/h2-12,14-15,31H,13H2,1H3