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

Systemtic Name: 1-chloranyl-6-ethoxy-11-methoxy-5-methyl-8-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-(benzenesulfonyl)-1-chloro-6-ethoxy-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8-(benzenesulfonyl)-1-chloro-6-ethoxy-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-(benzenesulfonyl)-1-chloro-6-ethoxy-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-besyl-1-chloro-6-ethoxy-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O4S/c1-4-31-17-12-16(32(28,29)15-8-6-5-7-9-15)10-14-11-18(30-3)26-19-21(23)24-13-25-22(19)27(2)20(14)17/h5-10,12-13H,4,11H2,1-3H3