methyl 4-(3-pyridin-3-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoate

Systemtic Name: methyl 4-(3-pyridin-3-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoate Openeye Name: methyl 4-[3-(3-pyridyl)propyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoate CAS Name: 4-[3-(3-pyridinyl)propyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid methyl ester IUPAC Name: methyl 4-(3-pyridin-3-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoate Traditional Name: 4-[3-(3-pyridyl)propyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]caprylic acid methyl ester Formula: C24H31F3N2O4S MolecularWeight: 500.57415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)CCCC2=CN=CC=C2

Isomeric SMILES

COC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)CCCC2=CN=CC=C2

InChI

InChI=1S/C24H31F3N2O4S/c1-33-23(30)15-10-19(7-4-8-20-9-5-16-28-18-20)6-2-3-17-29-34(31,32)22-13-11-21(12-14-22)24(25,26)27/h5,9,11-14,16,18-19,29H,2-4,6-8,10,15,17H2,1H3