methyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-3-cyclohexyl-propanoate

Systemtic Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-3-cyclohexyl-propanoate Openeye Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-3-cyclohexyl-propanoate CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-3-cyclohexylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-3-cyclohexylpropanoate Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-3-cyclohexyl-propionic acid methyl ester Formula: C18H21F6NO4S MolecularWeight: 461.419059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C(CC1CCCCC1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H21F6NO4S/c1-29-16(26)15(7-11-5-3-2-4-6-11)25-30(27,28)14-9-12(17(19,20)21)8-13(10-14)18(22,23)24/h8-11,15,25H,2-7H2,1H3