1-chloranyl-5-methyl-8-(phenylsulfonyl)-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-5-methyl-8-(phenylsulfonyl)-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 8-(benzenesulfonyl)-1-chloro-6-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 8-(benzenesulfonyl)-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 8-(benzenesulfonyl)-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 8-besyl-1-chloro-6-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C22H21ClN4O5S2 MolecularWeight: 521.00894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C2C(=CC(=C1)S(=O)(=O)C3=CC=CC=C3)CC(=O)NC4=C(N2C)N=CN=C4Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=C2C(=CC(=C1)S(=O)(=O)C3=CC=CC=C3)CC(=O)NC4=C(N2C)N=CN=C4Cl

InChI

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