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

Systemtic Name: 2-(1-chloranyl-11-methoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Openeye Name: 2-(1-chloro-6-isopropylsulfonyl-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol CAS Name: 2-(1-chloro-11-methoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol IUPAC Name: 2-(1-chloro-11-methoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Traditional Name: 2-(1-chloro-6-isopropylsulfonyl-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)N=C(C2)OC)C)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)N=C(C2)OC)C)C4=CC=CC=C4O

InChI

InChI=1S/C23H23ClN4O4S/c1-13(2)33(30,31)18-10-14(16-7-5-6-8-17(16)29)9-15-11-19(32-4)27-20-22(24)25-12-26-23(20)28(3)21(15)18/h5-10,12-13,29H,11H2,1-4H3