3-[4-[1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]butan-2-yloxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]butan-2-yloxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[1-[[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]methyl]propoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]butan-2-yloxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]butan-2-yloxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[1-[[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]methyl]propoxy]-2-methyl-phenyl]propionic acid Formula: C26H32ClNO5S2 MolecularWeight: 538.11898

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(CC)OC1=CC(=C(C=C1)CCC(=O)O)C)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CCCN(CC(CC)OC1=CC(=C(C=C1)CCC(=O)O)C)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C26H32ClNO5S2/c1-5-13-28(35(31,32)26-18(4)23-15-20(27)9-11-24(23)34-26)16-21(6-2)33-22-10-7-19(17(3)14-22)8-12-25(29)30/h7,9-11,14-15,21H,5-6,8,12-13,16H2,1-4H3,(H,29,30)