2-fluoranyl-N-[4-(3-methylbutanoylamino)phenyl]-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-fluoranyl-N-[4-(3-methylbutanoylamino)phenyl]-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-fluoro-N-[4-(3-methylbutanoylamino)phenyl]-5-morpholinosulfonyl-benzamide CAS Name: 2-fluoro-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-fluoro-N-[4-(3-methylbutanoylamino)phenyl]-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-fluoro-N-[4-(isovalerylamino)phenyl]-5-morpholinosulfonyl-benzamide Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C22H26FN3O5S/c1-15(2)13-21(27)24-16-3-5-17(6-4-16)25-22(28)19-14-18(7-8-20(19)23)32(29,30)26-9-11-31-12-10-26/h3-8,14-15H,9-13H2,1-2H3,(H,24,27)(H,25,28)