2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-3-phenyl-3-(pyridin-4-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-3-phenyl-3-(pyridin-4-ylmethylsulfanyl)propanoic acid Openeye Name: 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-3-phenyl-3-(4-pyridylmethylsulfanyl)propanoic acid CAS Name: 2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-3-phenyl-3-(pyridin-4-ylmethylthio)propanoic acid IUPAC Name: 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-3-phenyl-3-(pyridin-4-ylmethylsulfanyl)propanoic acid Traditional Name: 2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-3-phenyl-3-(4-pyridylmethylthio)propionic acid Formula: C28H26N2O4S3 MolecularWeight: 550.71204

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)SCC4=CC=NC=C4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)SCC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C28H26N2O4S3/c1-35-24-11-7-21(8-12-24)22-9-13-25(14-10-22)37(33,34)30-26(28(31)32)27(23-5-3-2-4-6-23)36-19-20-15-17-29-18-16-20/h2-18,26-27,30H,19H2,1H3,(H,31,32)