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

Systemtic Name: 1-chloranyl-6-ethoxy-5-methyl-8,11-bis(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8,11-bis(benzenesulfonyl)-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8,11-bis(benzenesulfonyl)-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8,11-bis(benzenesulfonyl)-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8,11-dibesyl-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C27H23ClN4O5S2 MolecularWeight: 583.07832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)S(=O)(=O)C3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=C2C(=CC(=C1)S(=O)(=O)C3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H23ClN4O5S2/c1-3-37-22-16-21(38(33,34)19-10-6-4-7-11-19)14-18-15-23(39(35,36)20-12-8-5-9-13-20)31-24-26(28)29-17-30-27(24)32(2)25(18)22/h4-14,16-17H,3,15H2,1-2H3