N-tert-butyl-2-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzamide

Systemtic Name: N-tert-butyl-2-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzamide Openeye Name: N-tert-butyl-2-[4-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: N-tert-butyl-2-[[4-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzamide IUPAC Name: N-tert-butyl-2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide Traditional Name: N-tert-butyl-2-[4-(4-fluoro-N-mesyl-anilino)butanoylamino]benzamide Formula: C22H28FN3O4S MolecularWeight: 449.538823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C22H28FN3O4S/c1-22(2,3)25-21(28)18-8-5-6-9-19(18)24-20(27)10-7-15-26(31(4,29)30)17-13-11-16(23)12-14-17/h5-6,8-9,11-14H,7,10,15H2,1-4H3,(H,24,27)(H,25,28)