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

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2-[[4-(4-methylphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-2-[[4-(p-tolyl)phenyl]sulfonylamino]propanoic acid CAS Name: 3-[(4-methoxyphenyl)methylthio]-2-[[4-(4-methylphenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2-[[4-(4-methylphenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-(p-anisylthio)-3-phenyl-2-[[4-(p-tolyl)phenyl]sulfonylamino]propionic acid Formula: C30H29NO5S2 MolecularWeight: 547.68496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)SCC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)SCC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C30H29NO5S2/c1-21-8-12-23(13-9-21)24-14-18-27(19-15-24)38(34,35)31-28(30(32)33)29(25-6-4-3-5-7-25)37-20-22-10-16-26(36-2)17-11-22/h3-19,28-29,31H,20H2,1-2H3,(H,32,33)