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

Systemtic Name: phenyl 1-chloranyl-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate Openeye Name: phenyl 1-chloro-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate CAS Name: 1-chloro-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonic acid phenyl ester IUPAC Name: phenyl 1-chloro-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonate Traditional Name: 1-chloro-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-11-sulfonic acid phenyl ester Formula: C27H23ClN4O5S MolecularWeight: 551.01332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)N=C(C2)S(=O)(=O)OC5=CC=CC=C5)C

Isomeric SMILES

CCOC1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)N=C(C2)S(=O)(=O)OC5=CC=CC=C5)C

InChI

InChI=1S/C27H23ClN4O5S/c1-3-36-19-13-17-14-23(38(34,35)37-18-9-5-4-6-10-18)31-24-26(28)29-16-30-27(24)32(2)25(17)21(15-19)20-11-7-8-12-22(20)33/h4-13,15-16,33H,3,14H2,1-2H3