N-[2-[4-[3-fluoranyl-4-(isocyanomethyl)phenyl]phenyl]-2-oxidanyl-propyl]propane-2-sulfonamide

Systemtic Name: N-[2-[4-[3-fluoranyl-4-(isocyanomethyl)phenyl]phenyl]-2-oxidanyl-propyl]propane-2-sulfonamide Openeye Name: N-[2-[4-[3-fluoro-4-(isocyanomethyl)phenyl]phenyl]-2-hydroxy-propyl]propane-2-sulfonamide CAS Name: N-[2-[4-[3-fluoro-4-(isocyanomethyl)phenyl]phenyl]-2-hydroxypropyl]-2-propanesulfonamide IUPAC Name: N-[2-[4-[3-fluoro-4-(isocyanomethyl)phenyl]phenyl]-2-hydroxypropyl]propane-2-sulfonamide Traditional Name: N-[2-[4-[3-fluoro-4-(isocyanomethyl)phenyl]phenyl]-2-hydroxy-propyl]propane-2-sulfonamide Formula: C20H23FN2O3S MolecularWeight: 390.471623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S/c1-14(2)27(25,26)23-13-20(3,24)18-9-7-15(8-10-18)16-5-6-17(12-22-4)19(21)11-16/h5-11,14,23-24H,12-13H2,1-3H3