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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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