(2R)-3-methyl-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]butanoic acid Openeye Name: (2R)-3-methyl-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]butanoic acid CAS Name: (2R)-3-methyl-2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]butanoic acid Traditional Name: (2R)-3-methyl-2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]butyric acid Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S2/c1-12(2)17(18(20)21)19-25(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17,19H,1-3H3,(H,20,21)/t17-/m1/s1