tert-butyl (2R)-3-methyl-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]butanoate

Systemtic Name: tert-butyl (2R)-3-methyl-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]butanoate Openeye Name: tert-butyl (2R)-3-methyl-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]butanoate CAS Name: (2R)-3-methyl-2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-3-methyl-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]butanoate Traditional Name: (2R)-3-methyl-2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]butyric acid tert-butyl ester Formula: C22H29NO4S2 MolecularWeight: 435.59996

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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=CC=C(C=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4S2/c1-15(2)20(21(24)27-22(3,4)5)23-29(25,26)19-13-9-17(10-14-19)16-7-11-18(28-6)12-8-16/h7-15,20,23H,1-6H3/t20-/m1/s1