1-chloranyl-5-methyl-8-(phenylmethyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)O)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)O)C

InChI

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