6-[3-[3-(8-chloranylquinazolin-4-yl)-4-fluoranyl-phenoxy]phenyl]sulfonylhexanenitrile

Systemtic Name: 6-[3-[3-(8-chloranylquinazolin-4-yl)-4-fluoranyl-phenoxy]phenyl]sulfonylhexanenitrile Openeye Name: 6-[3-[3-(8-chloroquinazolin-4-yl)-4-fluoro-phenoxy]phenyl]sulfonylhexanenitrile CAS Name: 6-[3-[3-(8-chloro-4-quinazolinyl)-4-fluorophenoxy]phenyl]sulfonylhexanenitrile IUPAC Name: 6-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylhexanenitrile Traditional Name: 6-[3-[3-(8-chloroquinazolin-4-yl)-4-fluoro-phenoxy]phenyl]sulfonylhexanenitrile Formula: C26H21ClFN3O3S MolecularWeight: 509.979643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CCCCCC#N)OC2=CC(=C(C=C2)F)C3=NC=NC4=C3C=CC=C4Cl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCCCCC#N)OC2=CC(=C(C=C2)F)C3=NC=NC4=C3C=CC=C4Cl

InChI

InChI=1S/C26H21ClFN3O3S/c27-23-10-6-9-21-25(30-17-31-26(21)23)22-16-19(11-12-24(22)28)34-18-7-5-8-20(15-18)35(32,33)14-4-2-1-3-13-29/h5-12,15-17H,1-4,14H2