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

Systemtic Name: N-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-fluoranyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]ethyl]-4-fluoro-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluorobenzenesulfonamide Traditional Name: N-benzyl-N-[1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]ethyl]-4-fluoro-benzenesulfonamide Formula: C31H28FN3O3S MolecularWeight: 541.635723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C31H28FN3O3S/c1-3-23-13-17-26(18-14-23)35-30(33-29-12-8-7-11-28(29)31(35)36)22(2)34(21-24-9-5-4-6-10-24)39(37,38)27-19-15-25(32)16-20-27/h4-20,22H,3,21H2,1-2H3