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

Systemtic Name: 1-chloranyl-8-methoxy-5-methyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 11-(benzenesulfonyl)-1-chloro-8-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 11-(benzenesulfonyl)-1-chloro-8-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 11-(benzenesulfonyl)-1-chloro-8-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 11-besyl-1-chloro-8-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O4S/c1-25-18-12(8-13(29-2)10-15(18)26)9-16(24-17-19(21)22-11-23-20(17)25)30(27,28)14-6-4-3-5-7-14/h3-8,10-11,26H,9H2,1-2H3