N-[4-[2-fluoranyl-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-isocyano-benzamide

Systemtic Name: N-[4-[2-fluoranyl-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-isocyano-benzamide Openeye Name: N-[4-[1-fluoro-2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]-4-isocyano-benzamide CAS Name: N-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-isocyanobenzamide IUPAC Name: N-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-isocyanobenzamide Traditional Name: N-[4-[1-fluoro-2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]-4-isocyano-benzamide Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C)(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+]#[C-])F

Isomeric SMILES

CC(C)S(=O)(=O)NCC(C)(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+]#[C-])F

InChI

InChI=1S/C20H22FN3O3S/c1-14(2)28(26,27)23-13-20(3,21)16-7-11-18(12-8-16)24-19(25)15-5-9-17(22-4)10-6-15/h5-12,14,23H,13H2,1-3H3,(H,24,25)