1-chloranyl-8-fluoranyl-5-methyl-11-(phenylsulfonyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-8-fluoranyl-5-methyl-11-(phenylsulfonyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-(benzenesulfonyl)-1-chloro-8-fluoro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 11-(benzenesulfonyl)-1-chloro-8-fluoro-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-(benzenesulfonyl)-1-chloro-8-fluoro-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-besyl-1-chloro-8-fluoro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C22H20ClFN4O4S2 MolecularWeight: 523.000003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN4O4S2/c1-13(2)33(29,30)17-11-15(24)9-14-10-18(34(31,32)16-7-5-4-6-8-16)27-19-21(23)25-12-26-22(19)28(3)20(14)17/h4-9,11-13H,10H2,1-3H3