7-[[4-[3-(hydroxymethyl)thiophen-2-yl]phenyl]methyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[4-[3-(hydroxymethyl)thiophen-2-yl]phenyl]methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[4-[3-(hydroxymethyl)-2-thienyl]phenyl]methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-[3-(hydroxymethyl)-2-thiophenyl]phenyl]methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[4-[3-(hydroxymethyl)thiophen-2-yl]phenyl]methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[mesyl-[4-(3-methylol-2-thienyl)benzyl]amino]enanthic acid Formula: C20H27NO5S2 MolecularWeight: 425.56208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C2=C(C=CS2)CO

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C2=C(C=CS2)CO

InChI

InChI=1S/C20H27NO5S2/c1-28(25,26)21(12-5-3-2-4-6-19(23)24)14-16-7-9-17(10-8-16)20-18(15-22)11-13-27-20/h7-11,13,22H,2-6,12,14-15H2,1H3,(H,23,24)