phenyl 1-chloranyl-11-methoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-8-sulfonate

Systemtic Name: phenyl 1-chloranyl-11-methoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-8-sulfonate Openeye Name: phenyl 1-chloro-6-isopropylsulfonyl-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-8-sulfonate CAS Name: 1-chloro-11-methoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-8-sulfonic acid phenyl ester IUPAC Name: phenyl 1-chloro-11-methoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-8-sulfonate Traditional Name: 1-chloro-6-isopropylsulfonyl-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-8-sulfonic acid phenyl ester Formula: C23H23ClN4O6S2 MolecularWeight: 551.03492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C2C(=CC(=C1)S(=O)(=O)OC3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C2C(=CC(=C1)S(=O)(=O)OC3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)OC

InChI

InChI=1S/C23H23ClN4O6S2/c1-14(2)35(29,30)18-12-17(36(31,32)34-16-8-6-5-7-9-16)10-15-11-19(33-4)27-20-22(24)25-13-26-23(20)28(3)21(15)18/h5-10,12-14H,11H2,1-4H3