N-[4-(2-cyanopropan-2-yl)phenyl]-4-fluoranyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[4-(2-cyanopropan-2-yl)phenyl]-4-fluoranyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-4-fluoro-3-morpholinosulfonyl-benzamide CAS Name: N-[4-(2-cyanopropan-2-yl)phenyl]-4-fluoro-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[4-(2-cyanopropan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-4-fluoro-3-morpholinosulfonyl-benzamide Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O4S/c1-21(2,14-23)16-4-6-17(7-5-16)24-20(26)15-3-8-18(22)19(13-15)30(27,28)25-9-11-29-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,24,26)