[5-[[butan-2-yl(cyclopropylcarbonyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [5-[[butan-2-yl(cyclopropylcarbonyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[cyclopropanecarbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[butan-2-yl-[cyclopropyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[cyclopropanecarbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H26F3NO5S MolecularWeight: 485.51645

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3CC3

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3CC3

InChI

InChI=1S/C23H26F3NO5S/c1-4-15(2)27(22(28)17-9-10-17)14-16-8-11-20(31-3)21(12-16)32-33(29,30)19-7-5-6-18(13-19)23(24,25)26/h5-8,11-13,15,17H,4,9-10,14H2,1-3H3