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

Systemtic Name: 1-chloranyl-5-methyl-11-(phenylsulfonyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Openeye Name: 11-(benzenesulfonyl)-1-chloro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol CAS Name: 11-(benzenesulfonyl)-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol IUPAC Name: 11-(benzenesulfonyl)-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Traditional Name: 11-besyl-1-chloro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Formula: C22H21ClN4O5S2 MolecularWeight: 521.00894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O5S2/c1-13(2)33(29,30)17-11-15(28)9-14-10-18(34(31,32)16-7-5-4-6-8-16)26-19-21(23)24-12-25-22(19)27(3)20(14)17/h4-9,11-13,28H,10H2,1-3H3