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

Systemtic Name: 1-chloranyl-8-(2-hydroxyphenyl)-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-8-(2-hydroxyphenyl)-6-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-(2-hydroxyphenyl)-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-8-(2-hydroxyphenyl)-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-8-(2-hydroxyphenyl)-6-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=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)NC(=O)C2)C)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)NC(=O)C2)C)C4=CC=CC=C4O

InChI

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