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

Systemtic Name: 1-chloranyl-6-iodanyl-5-methyl-8,11-bis(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8,11-bis(benzenesulfonyl)-1-chloro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8,11-bis(benzenesulfonyl)-1-chloro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8,11-bis(benzenesulfonyl)-1-chloro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8,11-dibesyl-1-chloro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C25H18ClIN4O4S2 MolecularWeight: 664.92229

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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)I

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)I

InChI

InChI=1S/C25H18ClIN4O4S2/c1-31-23-16(12-19(14-20(23)27)36(32,33)17-8-4-2-5-9-17)13-21(30-22-24(26)28-15-29-25(22)31)37(34,35)18-10-6-3-7-11-18/h2-12,14-15H,13H2,1H3