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

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-(benzylthio)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C29H27NO5S2 MolecularWeight: 533.65838

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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)SCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H27NO5S2/c1-35-25-16-12-22(13-17-25)23-14-18-26(19-15-23)37(33,34)30-27(29(31)32)28(24-10-6-3-7-11-24)36-20-21-8-4-2-5-9-21/h2-19,27-28,30H,20H2,1H3,(H,31,32)