phenyl (6E)-6-[(3-iodanyl-5-propan-2-ylsulfonyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate

Systemtic Name: phenyl (6E)-6-[(3-iodanyl-5-propan-2-ylsulfonyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-iodo-5-isopropylsulfonyl-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[(3-iodo-5-propan-2-ylsulfonylphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester IUPAC Name: phenyl (6E)-6-[(3-iodo-5-propan-2-ylsulfonylphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-(3-iodo-5-isopropylsulfonyl-benzylidene)-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C28H25IN2O6S2 MolecularWeight: 676.54237

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=CC(=C1)C=C2CCCN3C2=NC4=C(C3=O)C=CC=C4S(=O)(=O)OC5=CC=CC=C5)I

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=CC(=C1)/C=C/2\CCCN3C2=NC4=C(C3=O)C=CC=C4S(=O)(=O)OC5=CC=CC=C5)I

InChI

InChI=1S/C28H25IN2O6S2/c1-18(2)38(33,34)23-16-19(15-21(29)17-23)14-20-8-7-13-31-27(20)30-26-24(28(31)32)11-6-12-25(26)39(35,36)37-22-9-4-3-5-10-22/h3-6,9-12,14-18H,7-8,13H2,1-2H3/b20-14+