1-chloranyl-8-ethoxy-5-methyl-11-(phenylsulfonyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-11-(phenylsulfonyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-(benzenesulfonyl)-1-chloro-8-ethoxy-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 11-(benzenesulfonyl)-1-chloro-8-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-(benzenesulfonyl)-1-chloro-8-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-besyl-1-chloro-8-ethoxy-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C24H25ClN4O5S2 MolecularWeight: 549.0621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O5S2/c1-5-34-17-11-16-12-20(36(32,33)18-9-7-6-8-10-18)28-21-23(25)26-14-27-24(21)29(4)22(16)19(13-17)35(30,31)15(2)3/h6-11,13-15H,5,12H2,1-4H3