[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-(6-fluoro-4-oxo-quinazolin-3-yl)acetate CAS Name: 2-(6-fluoro-4-oxo-3-quinazolinyl)acetic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-(6-fluoro-4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(6-fluoro-4-keto-quinazolin-3-yl)acetic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C25H22FN3O5S MolecularWeight: 495.522683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F)C

InChI

InChI=1S/C25H22FN3O5S/c1-16-4-10-21(12-17(16)2)35(32,33)28(3)19-6-8-20(9-7-19)34-24(30)14-29-15-27-23-11-5-18(26)13-22(23)25(29)31/h4-13,15H,14H2,1-3H3