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

Systemtic Name: phenyl 1-chloranyl-11-ethoxy-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonate Openeye Name: phenyl 1-chloro-11-ethoxy-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonate CAS Name: 1-chloro-11-ethoxy-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonic acid phenyl ester IUPAC Name: phenyl 1-chloro-11-ethoxy-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonate Traditional Name: 1-chloro-11-ethoxy-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6-sulfonic acid phenyl ester Formula: C24H25ClN4O6S2 MolecularWeight: 565.0615

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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)C(C)C)S(=O)(=O)OC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C(C)C)S(=O)(=O)OC4=CC=CC=C4)C

InChI

InChI=1S/C24H25ClN4O6S2/c1-5-34-20-12-16-11-18(36(30,31)15(2)3)13-19(37(32,33)35-17-9-7-6-8-10-17)22(16)29(4)24-21(28-20)23(25)26-14-27-24/h6-11,13-15H,5,12H2,1-4H3