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

Systemtic Name: 1-chloranyl-11-fluoranyl-5-methyl-6-(phenylmethyl)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6-benzyl-1-chloro-11-fluoro-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-11-fluoro-5-methyl-6-(phenylmethyl)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6-benzyl-1-chloro-11-fluoro-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6-benzyl-1-chloro-11-fluoro-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C23H22ClFN4O2S MolecularWeight: 472.962783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)F)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)F)CC4=CC=CC=C4

InChI

InChI=1S/C23H22ClFN4O2S/c1-14(2)32(30,31)18-10-16(9-15-7-5-4-6-8-15)21-17(11-18)12-19(25)28-20-22(24)26-13-27-23(20)29(21)3/h4-8,10-11,13-14H,9,12H2,1-3H3