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

Systemtic Name: 1-chloranyl-6-(2-hydroxyphenyl)-5-methyl-8-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-6-(2-hydroxyphenyl)-8-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-6-(2-hydroxyphenyl)-5-methyl-8-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-6-(2-hydroxyphenyl)-5-methyl-8-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-6-(2-hydroxyphenyl)-8-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)NC(=O)C2)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)NC(=O)C2)C

InChI

InChI=1S/C22H21ClN4O4S/c1-12(2)32(30,31)14-8-13-9-18(29)26-19-21(23)24-11-25-22(19)27(3)20(13)16(10-14)15-6-4-5-7-17(15)28/h4-8,10-12,28H,9H2,1-3H3,(H,26,29)