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

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-3-(2-phenylmethoxyethylsulfanyl)propanoic acid Openeye Name: 3-(2-benzyloxyethylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-3-(2-phenylmethoxyethylthio)propanoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-3-(2-phenylmethoxyethylsulfanyl)propanoic acid Traditional Name: 3-(2-benzoxyethylthio)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C31H31NO6S2 MolecularWeight: 577.71094

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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)SCCOCC4=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)SCCOCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H31NO6S2/c1-37-27-16-12-24(13-17-27)25-14-18-28(19-15-25)40(35,36)32-29(31(33)34)30(26-10-6-3-7-11-26)39-21-20-38-22-23-8-4-2-5-9-23/h2-19,29-30,32H,20-22H2,1H3,(H,33,34)