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

Systemtic Name: 1-chloranyl-5-methyl-8,11-bis(phenylsulfonyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8,11-bis(benzenesulfonyl)-1-chloro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8,11-bis(benzenesulfonyl)-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8,11-bis(benzenesulfonyl)-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8,11-dibesyl-1-chloro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C28H25ClN4O6S3 MolecularWeight: 645.1693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C2C(=CC(=C1)S(=O)(=O)C3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)C1=C2C(=CC(=C1)S(=O)(=O)C3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN4O6S3/c1-18(2)40(34,35)23-16-22(41(36,37)20-10-6-4-7-11-20)14-19-15-24(42(38,39)21-12-8-5-9-13-21)32-25-27(29)30-17-31-28(25)33(3)26(19)23/h4-14,16-18H,15H2,1-3H3