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

Systemtic Name: 2-(1-chloranyl-5-methyl-6-methylsulfanyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Openeye Name: 2-(1-chloro-11-isopropylsulfonyl-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol CAS Name: 2-[1-chloro-5-methyl-6-(methylthio)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl]phenol IUPAC Name: 2-(1-chloro-5-methyl-6-methylsulfanyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Traditional Name: 2-[1-chloro-11-isopropylsulfonyl-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl]phenol Formula: C23H23ClN4O3S2 MolecularWeight: 503.03672

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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=C3SC)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=C3SC)C4=CC=CC=C4O)C

InChI

InChI=1S/C23H23ClN4O3S2/c1-13(2)33(30,31)19-11-15-9-14(16-7-5-6-8-17(16)29)10-18(32-4)21(15)28(3)23-20(27-19)22(24)25-12-26-23/h5-10,12-13,29H,11H2,1-4H3