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

Systemtic Name: phenyl 1-chloranyl-6-(2-hydroxyphenyl)-5-methyl-8-oxidanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate Openeye Name: phenyl 1-chloro-8-hydroxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate CAS Name: 1-chloro-8-hydroxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonic acid phenyl ester IUPAC Name: phenyl 1-chloro-8-hydroxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate Traditional Name: 1-chloro-8-hydroxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonic acid phenyl ester Formula: C25H19ClN4O5S MolecularWeight: 522.96016

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClN4O5S/c1-30-23-15(11-16(31)13-19(23)18-9-5-6-10-20(18)32)12-21(29-22-24(26)27-14-28-25(22)30)36(33,34)35-17-7-3-2-4-8-17/h2-11,13-14,31-32H,12H2,1H3