3-[methyl-[3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]cyclohexyl]oxypropanoyl]amino]propanoic acid

Systemtic Name: 3-[methyl-[3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]cyclohexyl]oxypropanoyl]amino]propanoic acid Openeye Name: 3-[methyl-[3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]cyclohexoxy]propanoyl]amino]propanoic acid CAS Name: 3-[methyl-[3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxy-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[methyl-[3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanoyl]amino]propanoic acid Traditional Name: 3-[methyl-[3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]cyclohexoxy]propanoyl]amino]propionic acid Formula: C21H29F3N2O6S MolecularWeight: 494.52497

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)C(=O)CCOC1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CN(CCC(=O)O)C(=O)CCOC1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C21H29F3N2O6S/c1-25(13-11-20(28)29)19(27)12-14-32-17-7-5-16(6-8-17)26(2)33(30,31)18-9-3-15(4-10-18)21(22,23)24/h3-4,9-10,16-17H,5-8,11-14H2,1-2H3,(H,28,29)