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

Systemtic Name: 1-chloranyl-5-methyl-6-methylsulfanyl-8-(phenylsulfonyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-(benzenesulfonyl)-1-chloro-11-isopropylsulfonyl-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8-(benzenesulfonyl)-1-chloro-5-methyl-6-(methylthio)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-(benzenesulfonyl)-1-chloro-5-methyl-6-methylsulfanyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-besyl-1-chloro-11-isopropylsulfonyl-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C23H23ClN4O4S3 MolecularWeight: 551.10112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C4=CC=CC=C4)SC)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C4=CC=CC=C4)SC)C

InChI

InChI=1S/C23H23ClN4O4S3/c1-14(2)34(29,30)19-11-15-10-17(35(31,32)16-8-6-5-7-9-16)12-18(33-4)21(15)28(3)23-20(27-19)22(24)25-13-26-23/h5-10,12-14H,11H2,1-4H3