N-[5-cyano-2-(4-fluorophenyl)-4-(prop-2-enylamino)pyridin-3-yl]benzenesulfonamide

Systemtic Name: N-[5-cyano-2-(4-fluorophenyl)-4-(prop-2-enylamino)pyridin-3-yl]benzenesulfonamide Openeye Name: N-[4-(allylamino)-5-cyano-2-(4-fluorophenyl)-3-pyridyl]benzenesulfonamide CAS Name: N-[5-cyano-2-(4-fluorophenyl)-4-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide IUPAC Name: N-[5-cyano-2-(4-fluorophenyl)-4-(prop-2-enylamino)pyridin-3-yl]benzenesulfonamide Traditional Name: N-[4-(allylamino)-5-cyano-2-(4-fluorophenyl)-3-pyridyl]benzenesulfonamide Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=NC=C1C#N)C2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCNC1=C(C(=NC=C1C#N)C2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17FN4O2S/c1-2-12-24-20-16(13-23)14-25-19(15-8-10-17(22)11-9-15)21(20)26-29(27,28)18-6-4-3-5-7-18/h2-11,14,26H,1,12H2,(H,24,25)