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

Systemtic Name: 7-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[mesyl-[4-(2-methylolphenyl)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=C2CO

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C2=CC=CC=C2CO

InChI

InChI=1S/C22H29NO5S/c1-29(27,28)23(15-7-3-2-4-10-22(25)26)16-18-11-13-19(14-12-18)21-9-6-5-8-20(21)17-24/h5-6,8-9,11-14,24H,2-4,7,10,15-17H2,1H3,(H,25,26)