7-[[4-(2-hydroxyphenyl)phenyl]methyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[4-(2-hydroxyphenyl)phenyl]methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[4-(2-hydroxyphenyl)phenyl]methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-(2-hydroxyphenyl)phenyl]methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[4-(2-hydroxyphenyl)phenyl]methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[4-(2-hydroxyphenyl)benzyl]-mesyl-amino]enanthic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C2=CC=CC=C2O

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C2=CC=CC=C2O

InChI

InChI=1S/C21H27NO5S/c1-28(26,27)22(15-7-3-2-4-10-21(24)25)16-17-11-13-18(14-12-17)19-8-5-6-9-20(19)23/h5-6,8-9,11-14,23H,2-4,7,10,15-16H2,1H3,(H,24,25)