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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)N=C(C2)S(=O)(=O)C(C)C)C)C4=CC=CC=C4O

Isomeric SMILES

CCOC1=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)N=C(C2)S(=O)(=O)C(C)C)C)C4=CC=CC=C4O

InChI

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