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

Systemtic Name: 1-chloranyl-5-methyl-8-(phenylmethyl)-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 8-benzyl-1-chloro-6-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-5-methyl-8-(phenylmethyl)-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 8-benzyl-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 8-benzyl-1-chloro-6-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=C2C(=CC(=C1)CC3=CC=CC=C3)CC(=O)NC4=C(N2C)N=CN=C4Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=C2C(=CC(=C1)CC3=CC=CC=C3)CC(=O)NC4=C(N2C)N=CN=C4Cl

InChI

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