N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide Formula: C21H23FN4O4S MolecularWeight: 446.495123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O4S/c1-14(2)12-19(21(28)24-11-10-23)25-20(27)15-4-3-5-17(13-15)26-31(29,30)18-8-6-16(22)7-9-18/h3-9,13-14,19,26H,11-12H2,1-2H3,(H,24,28)(H,25,27)