3-(tert-butylsulfamoyl)-4-fluoranyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide

Systemtic Name: 3-(tert-butylsulfamoyl)-4-fluoranyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-3-(tert-butylsulfamoyl)-4-fluoro-benzamide CAS Name: 3-(tert-butylsulfamoyl)-4-fluoro-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]benzamide IUPAC Name: 3-(tert-butylsulfamoyl)-4-fluoro-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-3-(tert-butylsulfamoyl)-4-fluoro-benzamide Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)F

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)F

InChI

InChI=1S/C21H25FN4O4S/c1-5-12-23-20(28)25-16-9-7-15(8-10-16)24-19(27)14-6-11-17(22)18(13-14)31(29,30)26-21(2,3)4/h5-11,13,26H,1,12H2,2-4H3,(H,24,27)(H2,23,25,28)