(2S)-2-(2-aminophenyl)sulfanyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide

Systemtic Name: (2S)-2-(2-aminophenyl)sulfanyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: (2S)-2-(2-aminophenyl)sulfanyl-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: (2S)-2-[(2-aminophenyl)thio]-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2S)-2-(2-aminophenyl)sulfanyl-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide Traditional Name: (2S)-2-[(2-aminophenyl)thio]-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C16H14F3N3O4S MolecularWeight: 401.36027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)(O)SC2=CC=CC=C2N

Isomeric SMILES

C[C@](C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)(O)SC2=CC=CC=C2N

InChI

InChI=1S/C16H14F3N3O4S/c1-15(24,27-13-5-3-2-4-11(13)20)14(23)21-9-6-7-12(22(25)26)10(8-9)16(17,18)19/h2-8,24H,20H2,1H3,(H,21,23)/t15-/m0/s1