1-chloranyl-6-ethoxy-5-methyl-8-(phenylsulfonyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-6-ethoxy-5-methyl-8-(phenylsulfonyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 8-(benzenesulfonyl)-1-chloro-6-ethoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 8-(benzenesulfonyl)-1-chloro-6-ethoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 8-(benzenesulfonyl)-1-chloro-6-ethoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 8-besyl-1-chloro-6-ethoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)S(=O)(=O)C3=CC=CC=C3)CC(=O)NC4=C(N2C)N=CN=C4Cl

Isomeric SMILES

CCOC1=C2C(=CC(=C1)S(=O)(=O)C3=CC=CC=C3)CC(=O)NC4=C(N2C)N=CN=C4Cl

InChI

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