tert-butyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methyl-valeric acid tert-butyl ester Formula: C22H28BrNO4S MolecularWeight: 482.43102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrNO4S/c1-15(2)14-20(21(25)28-22(3,4)5)24-29(26,27)19-12-8-17(9-13-19)16-6-10-18(23)11-7-16/h6-13,15,20,24H,14H2,1-5H3/t20-/m0/s1