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

Systemtic Name: 2-(1-chloranyl-8-iodanyl-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(1-chloro-8-iodo-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-(1-chloro-8-iodo-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol IUPAC Name: 2-(1-chloro-8-iodo-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-(1-chloro-8-iodo-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Formula: C22H20ClIN4O3S MolecularWeight: 582.84167

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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=C3C4=CC=CC=C4O)I)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3C4=CC=CC=C4O)I)C

InChI

InChI=1S/C22H20ClIN4O3S/c1-12(2)32(30,31)18-9-13-8-14(24)10-16(15-6-4-5-7-17(15)29)20(13)28(3)22-19(27-18)21(23)25-11-26-22/h4-8,10-12,29H,9H2,1-3H3