2-(1-chloranyl-11-ethoxy-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol

Systemtic Name: 2-(1-chloranyl-11-ethoxy-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(1-chloro-11-ethoxy-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-(1-chloro-11-ethoxy-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol IUPAC Name: 2-(1-chloro-11-ethoxy-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-(1-chloro-11-ethoxy-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Formula: C24H25ClN4O4S MolecularWeight: 500.9977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3C4=CC=CC=C4O)S(=O)(=O)C(C)C)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3C4=CC=CC=C4O)S(=O)(=O)C(C)C)C

InChI

InChI=1S/C24H25ClN4O4S/c1-5-33-20-11-15-10-16(34(31,32)14(2)3)12-18(17-8-6-7-9-19(17)30)22(15)29(4)24-21(28-20)23(25)26-13-27-24/h6-10,12-14,30H,5,11H2,1-4H3