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

Systemtic Name: 1-chloranyl-5-methyl-6-(phenylmethyl)-8-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 6-benzyl-1-chloro-8-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-5-methyl-6-(phenylmethyl)-8-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 6-benzyl-1-chloro-5-methyl-8-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 6-benzyl-1-chloro-8-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=O)NC3=C(N2C)N=CN=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=O)NC3=C(N2C)N=CN=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O3S/c1-14(2)32(30,31)18-10-16(9-15-7-5-4-6-8-15)21-17(11-18)12-19(29)27-20-22(24)25-13-26-23(20)28(21)3/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,27,29)