3-phenethylsulfanyl-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-phenethylsulfanyl-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-phenethylsulfanyl-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid CAS Name: 3-(phenethylthio)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-phenethylsulfanyl-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(phenethylthio)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propionic acid Formula: C29H27NO4S2 MolecularWeight: 517.65898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC(C2=CC=CC=C2)C(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSC(C2=CC=CC=C2)C(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H27NO4S2/c31-29(32)27(28(25-14-8-3-9-15-25)35-21-20-22-10-4-1-5-11-22)30-36(33,34)26-18-16-24(17-19-26)23-12-6-2-7-13-23/h1-19,27-28,30H,20-21H2,(H,31,32)