2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-3-phenyl-3-(pyridin-3-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-3-phenyl-3-(pyridin-3-ylmethylsulfanyl)propanoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-3-phenyl-3-(3-pyridylmethylsulfanyl)propanoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-3-phenyl-3-(3-pyridinylmethylthio)propanoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-3-phenyl-3-(pyridin-3-ylmethylsulfanyl)propanoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-3-phenyl-3-(3-pyridylmethylthio)propionic acid Formula: C29H28N2O5S2 MolecularWeight: 548.67302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C(C1=CC=CC=C1)SCC2=CN=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C(C(C1=CC=CC=C1)SCC2=CN=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H28N2O5S2/c1-31(38(34,35)26-16-12-23(13-17-26)22-10-14-25(36-2)15-11-22)27(29(32)33)28(24-8-4-3-5-9-24)37-20-21-7-6-18-30-19-21/h3-19,27-28H,20H2,1-2H3,(H,32,33)