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

Systemtic Name: 1-chloranyl-5-methyl-8-methylsulfanyl-11-(phenylsulfonyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-(benzenesulfonyl)-1-chloro-6-isopropylsulfonyl-5-methyl-8-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 11-(benzenesulfonyl)-1-chloro-5-methyl-8-(methylthio)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-(benzenesulfonyl)-1-chloro-5-methyl-8-methylsulfanyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-besyl-1-chloro-6-isopropylsulfonyl-5-methyl-8-(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=C2C(=CC(=C1)SC)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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