1-chloranyl-6-ethoxy-5-methyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol

Systemtic Name: 1-chloranyl-6-ethoxy-5-methyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Openeye Name: 11-(benzenesulfonyl)-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol CAS Name: 11-(benzenesulfonyl)-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol IUPAC Name: 11-(benzenesulfonyl)-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Traditional Name: 11-besyl-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)O)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C2C(=CC(=C1)O)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4O4S/c1-3-30-16-11-14(27)9-13-10-17(31(28,29)15-7-5-4-6-8-15)25-18-20(22)23-12-24-21(18)26(2)19(13)16/h4-9,11-12,27H,3,10H2,1-2H3