2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-[methylsulfonyl-[[5-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]acetic acid CAS Name: 2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-2-thiophenyl]methyl-methylsulfonylamino]acetic acid IUPAC Name: 2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-methylsulfonylamino]acetic acid Traditional Name: 2-[mesyl-[[5-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]acetic acid Formula: C28H35NO5S2 MolecularWeight: 529.7112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CC=C(S3)CN(CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CC=C(S3)CN(CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C28H35NO5S2/c1-4-6-22(7-5-2)23-12-14-25(15-13-23)34-20-21-8-10-24(11-9-21)27-17-16-26(35-27)18-29(19-28(30)31)36(3,32)33/h8-17,22H,4-7,18-20H2,1-3H3,(H,30,31)