2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-methylsulfanyl-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-methylsulfanyl-3-phenyl-propanoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-methylsulfanyl-3-phenyl-propanoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-(methylthio)-3-phenylpropanoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-methylsulfanyl-3-phenylpropanoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-(methylthio)-3-phenyl-propionic acid Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)SC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)SC)C(=O)O

InChI

InChI=1S/C23H23NO5S2/c1-29-19-12-8-16(9-13-19)17-10-14-20(15-11-17)31(27,28)24-21(23(25)26)22(30-2)18-6-4-3-5-7-18/h3-15,21-22,24H,1-2H3,(H,25,26)