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

Systemtic Name: 1-chloranyl-11-ethoxy-5-methyl-8-(phenylsulfonyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-(benzenesulfonyl)-1-chloro-11-ethoxy-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8-(benzenesulfonyl)-1-chloro-11-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-(benzenesulfonyl)-1-chloro-11-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-besyl-1-chloro-11-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=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C(C)C)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C(C)C)C

InChI

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