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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S/c1-14(2)27(25,26)23-13-20(3,24)18-8-6-15(7-9-18)17-5-4-16(10-11-22)19(21)12-17/h4-9,12,14,23-24H,10,13H2,1-3H3