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

Systemtic Name: (2S)-3-(4-aminophenyl)sulfanyl-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: (2S)-3-(4-aminophenyl)sulfanyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: (2S)-3-[(4-aminophenyl)thio]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2S)-3-(4-aminophenyl)sulfanyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide Traditional Name: (2S)-3-[(4-aminophenyl)thio]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C17H16F3N3O4S MolecularWeight: 415.38685

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)N)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

C[C@@](CSC1=CC=C(C=C1)N)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C17H16F3N3O4S/c1-16(25,9-28-12-5-2-10(21)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(18,19)20/h2-8,25H,9,21H2,1H3,(H,22,24)/t16-/m1/s1