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

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-(4-fluorophenyl)sulfanyl-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[(4-fluorophenyl)thio]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-(4-fluorophenyl)sulfanyl-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[(4-fluorophenyl)thio]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C28H24FNO5S2 MolecularWeight: 537.622263

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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)SC4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)SC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C28H24FNO5S2/c1-35-23-13-7-19(8-14-23)20-9-17-25(18-10-20)37(33,34)30-26(28(31)32)27(21-5-3-2-4-6-21)36-24-15-11-22(29)12-16-24/h2-18,26-27,30H,1H3,(H,31,32)