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

Systemtic Name: phenyl (6E)-11-oxidanylidene-6-[(3-oxidanyl-5-phenoxysulfonyl-phenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-hydroxy-5-phenoxysulfonyl-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[(3-hydroxy-5-phenoxysulfonylphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester IUPAC Name: phenyl (6E)-6-[(3-hydroxy-5-phenoxysulfonylphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-(3-hydroxy-5-phenoxysulfonyl-benzylidene)-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C31H24N2O8S2 MolecularWeight: 616.66086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)O)C4=NC5=C(C=CC=C5S(=O)(=O)OC6=CC=CC=C6)C(=O)N4C1

Isomeric SMILES

C1C/C(=C\C2=CC(=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)O)/C4=NC5=C(C=CC=C5S(=O)(=O)OC6=CC=CC=C6)C(=O)N4C1

InChI

InChI=1S/C31H24N2O8S2/c34-23-18-21(19-26(20-23)42(36,37)40-24-10-3-1-4-11-24)17-22-9-8-16-33-30(22)32-29-27(31(33)35)14-7-15-28(29)43(38,39)41-25-12-5-2-6-13-25/h1-7,10-15,17-20,34H,8-9,16H2/b22-17+