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

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 11-(benzenesulfonyl)-1-chloro-8-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 11-(benzenesulfonyl)-1-chloro-8-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 11-(benzenesulfonyl)-1-chloro-8-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 11-besyl-1-chloro-8-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C21H19ClN4O4S MolecularWeight: 458.91796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C21H19ClN4O4S/c1-3-30-14-9-13-10-17(31(28,29)15-7-5-4-6-8-15)25-18-20(22)23-12-24-21(18)26(2)19(13)16(27)11-14/h4-9,11-12,27H,3,10H2,1-2H3