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

Systemtic Name: 2-[4-[3-[(3,5-dimethyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-[(3,5-dimethylbenzothiophen-2-yl)sulfonyl-propyl-amino]propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-[(3,5-dimethyl-1-benzothiophen-2-yl)sulfonyl-propylamino]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-[(3,5-dimethyl-1-benzothiophen-2-yl)sulfonyl-propylamino]propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-[(3,5-dimethylbenzothiophen-2-yl)sulfonyl-propyl-amino]propyl]phenoxy]-2-methyl-propionic acid Formula: C26H33NO5S2 MolecularWeight: 503.67392

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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)C)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)C)C

InChI

InChI=1S/C26H33NO5S2/c1-6-15-27(34(30,31)24-19(3)22-17-18(2)9-14-23(22)33-24)16-7-8-20-10-12-21(13-11-20)32-26(4,5)25(28)29/h9-14,17H,6-8,15-16H2,1-5H3,(H,28,29)