tert-butyl (2S)-2-[[4-(4-bromanyl-2-fluoranyl-phenyl)phenyl]sulfonylamino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(4-bromanyl-2-fluoranyl-phenyl)phenyl]sulfonylamino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[4-(4-bromo-2-fluoro-phenyl)phenyl]sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(4-bromo-2-fluorophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(4-bromo-2-fluorophenyl)phenyl]sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(4-bromo-2-fluoro-phenyl)phenyl]sulfonylamino]-3-methyl-butyric acid tert-butyl ester Formula: C21H25BrFNO4S MolecularWeight: 486.394903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C21H25BrFNO4S/c1-13(2)19(20(25)28-21(3,4)5)24-29(26,27)16-9-6-14(7-10-16)17-11-8-15(22)12-18(17)23/h6-13,19,24H,1-5H3/t19-/m0/s1