7-[[3-(hydroxymethyl)-4-phenyl-phenyl]methyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[3-(hydroxymethyl)-4-phenyl-phenyl]methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[3-(hydroxymethyl)-4-phenyl-phenyl]methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[3-(hydroxymethyl)-4-phenylphenyl]methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[3-(hydroxymethyl)-4-phenylphenyl]methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[mesyl-(3-methylol-4-phenyl-benzyl)amino]enanthic acid Formula: C22H29NO5S MolecularWeight: 419.53436

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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=C2)CO

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-29(27,28)23(14-8-3-2-7-11-22(25)26)16-18-12-13-21(20(15-18)17-24)19-9-5-4-6-10-19/h4-6,9-10,12-13,15,24H,2-3,7-8,11,14,16-17H2,1H3,(H,25,26)