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

Systemtic Name: phenyl (6E)-11-oxidanylidene-6-[(3-phenoxysulfonyl-5-propan-2-ylsulfonyl-phenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-isopropylsulfonyl-5-phenoxysulfonyl-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-11-oxo-6-[(3-phenoxysulfonyl-5-propan-2-ylsulfonylphenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester IUPAC Name: phenyl (6E)-11-oxo-6-[(3-phenoxysulfonyl-5-propan-2-ylsulfonylphenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-(3-isopropylsulfonyl-5-phenoxysulfonyl-benzylidene)-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C34H30N2O9S3 MolecularWeight: 706.805

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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)S(=O)(=O)OC6=CC=CC=C6

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)S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C34H30N2O9S3/c1-23(2)46(38,39)28-20-24(21-29(22-28)47(40,41)44-26-12-5-3-6-13-26)19-25-11-10-18-36-33(25)35-32-30(34(36)37)16-9-17-31(32)48(42,43)45-27-14-7-4-8-15-27/h3-9,12-17,19-23H,10-11,18H2,1-2H3/b25-19+