2-[4-[3-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]propyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[3-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]propyl]phenoxy]-2-methyl-propionic acid Formula: C25H30FNO5S2 MolecularWeight: 507.637803

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC1=CC=C(C=C1)OC(C)(C)C(=O)O)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)F)C

Isomeric SMILES

CCCN(CCCC1=CC=C(C=C1)OC(C)(C)C(=O)O)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)F)C

InChI

InChI=1S/C25H30FNO5S2/c1-5-14-27(34(30,31)23-17(2)21-16-19(26)10-13-22(21)33-23)15-6-7-18-8-11-20(12-9-18)32-25(3,4)24(28)29/h8-13,16H,5-7,14-15H2,1-4H3,(H,28,29)