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

Systemtic Name: 2-(1-chloranyl-6-fluoranyl-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Openeye Name: 2-(1-chloro-6-fluoro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol CAS Name: 2-(1-chloro-6-fluoro-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol IUPAC Name: 2-(1-chloro-6-fluoro-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Traditional Name: 2-(1-chloro-6-fluoro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Formula: C22H20ClFN4O3S MolecularWeight: 474.935603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3F)C4=CC=CC=C4O)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3F)C4=CC=CC=C4O)C

InChI

InChI=1S/C22H20ClFN4O3S/c1-12(2)32(30,31)18-10-14-8-13(15-6-4-5-7-17(15)29)9-16(24)20(14)28(3)22-19(27-18)21(23)25-11-26-22/h4-9,11-12,29H,10H2,1-3H3