2-[methyl-[3-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenyl-propyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[3-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenyl-propyl]amino]ethanoic acid Openeye Name: 2-[methyl-[3-phenyl-3-[4-(p-tolylsulfonyl)phenoxy]propyl]amino]acetic acid CAS Name: 2-[methyl-[3-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[methyl-[3-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylpropyl]amino]acetic acid Traditional Name: 2-[methyl-[3-phenyl-3-(4-tosylphenoxy)propyl]amino]acetic acid Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC(CCN(C)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC(CCN(C)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H27NO5S/c1-19-8-12-22(13-9-19)32(29,30)23-14-10-21(11-15-23)31-24(20-6-4-3-5-7-20)16-17-26(2)18-25(27)28/h3-15,24H,16-18H2,1-2H3,(H,27,28)