N-[4-[4-[(2S,3S)-3-azanyl-4-[(3S)-3-fluoranylpyrrolidin-1-yl]-4-oxidanylidene-butan-2-yl]phenyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-[(2S,3S)-3-azanyl-4-[(3S)-3-fluoranylpyrrolidin-1-yl]-4-oxidanylidene-butan-2-yl]phenyl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-[(1S,2S)-2-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxo-propyl]phenyl]phenyl]methanesulfonamide CAS Name: N-[4-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoro-1-pyrrolidinyl]-4-oxobutan-2-yl]phenyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]phenyl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-[(1S,2S)-2-amino-3-[(3S)-3-fluoropyrrolidino]-3-keto-1-methyl-propyl]phenyl]phenyl]methanesulfonamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C)C(C(=O)N3CCC(C3)F)N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C)[C@@H](C(=O)N3CC[C@@H](C3)F)N

InChI

InChI=1S/C21H26FN3O3S/c1-14(20(23)21(26)25-12-11-18(22)13-25)15-3-5-16(6-4-15)17-7-9-19(10-8-17)24-29(2,27)28/h3-10,14,18,20,24H,11-13,23H2,1-2H3/t14-,18-,20-/m0/s1