N-[1-[3-(4-cyano-3-fluoranyl-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide

Systemtic Name: N-[1-[3-(4-cyano-3-fluoranyl-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Openeye Name: N-[1-[3-(4-cyano-3-fluoro-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide CAS Name: N-[1-[3-(4-cyano-3-fluorophenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide IUPAC Name: N-[1-[3-(4-cyano-3-fluorophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Traditional Name: N-[1-[3-(4-cyano-3-fluoro-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC(=C(C=C4)C#N)F

Isomeric SMILES

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C25H22FN3O3S/c26-23-15-18(8-10-20(23)17-27)9-13-25(30)29-14-4-5-19-16-21(11-12-24(19)29)28-33(31,32)22-6-2-1-3-7-22/h1-3,6-8,10-12,15-16,28H,4-5,9,13-14H2