N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-fluoranyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-fluoranyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-4-fluoro-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluorobenzenesulfonamide Traditional Name: N-benzyl-4-fluoro-N-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)ethyl]benzenesulfonamide Formula: C31H28FN3O4S MolecularWeight: 557.635123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H28FN3O4S/c1-3-39-26-17-15-25(16-18-26)35-30(33-29-12-8-7-11-28(29)31(35)36)22(2)34(21-23-9-5-4-6-10-23)40(37,38)27-19-13-24(32)14-20-27/h4-20,22H,3,21H2,1-2H3