phenyl 1-chloranyl-6-(2-hydroxyphenyl)-8-iodanyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate

Systemtic Name: phenyl 1-chloranyl-6-(2-hydroxyphenyl)-8-iodanyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate Openeye Name: phenyl 1-chloro-6-(2-hydroxyphenyl)-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate CAS Name: 1-chloro-6-(2-hydroxyphenyl)-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonic acid phenyl ester IUPAC Name: phenyl 1-chloro-6-(2-hydroxyphenyl)-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate Traditional Name: 1-chloro-6-(2-hydroxyphenyl)-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonic acid phenyl ester Formula: C25H18ClIN4O4S MolecularWeight: 632.85729

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)S(=O)(=O)OC4=CC=CC=C4)C=C(C=C2C5=CC=CC=C5O)I

Isomeric SMILES

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)S(=O)(=O)OC4=CC=CC=C4)C=C(C=C2C5=CC=CC=C5O)I

InChI

InChI=1S/C25H18ClIN4O4S/c1-31-23-15(11-16(27)13-19(23)18-9-5-6-10-20(18)32)12-21(30-22-24(26)28-14-29-25(22)31)36(33,34)35-17-7-3-2-4-8-17/h2-11,13-14,32H,12H2,1H3