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

Systemtic Name: 1-chloranyl-6-fluoranyl-5-methyl-8-(phenylmethyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-benzyl-1-chloro-6-fluoro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6-fluoro-5-methyl-8-(phenylmethyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-benzyl-1-chloro-6-fluoro-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-benzyl-1-chloro-6-fluoro-11-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=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)F)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)F)C

InChI

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