4-cyano-N-(2-fluoranylethyl)-N-(2-piperazin-1-ylquinazolin-4-yl)benzenesulfonamide

Systemtic Name: 4-cyano-N-(2-fluoranylethyl)-N-(2-piperazin-1-ylquinazolin-4-yl)benzenesulfonamide Openeye Name: 4-cyano-N-(2-fluoroethyl)-N-(2-piperazin-1-ylquinazolin-4-yl)benzenesulfonamide CAS Name: 4-cyano-N-(2-fluoroethyl)-N-[2-(1-piperazinyl)-4-quinazolinyl]benzenesulfonamide IUPAC Name: 4-cyano-N-(2-fluoroethyl)-N-(2-piperazin-1-ylquinazolin-4-yl)benzenesulfonamide Traditional Name: 4-cyano-N-(2-fluoroethyl)-N-(2-piperazinoquinazolin-4-yl)benzenesulfonamide Formula: C21H21FN6O2S MolecularWeight: 440.493843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3C(=N2)N(CCF)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3C(=N2)N(CCF)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H21FN6O2S/c22-9-12-28(31(29,30)17-7-5-16(15-23)6-8-17)20-18-3-1-2-4-19(18)25-21(26-20)27-13-10-24-11-14-27/h1-8,24H,9-14H2