3-azanylpropyl 2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-ethanoate

Systemtic Name: 3-azanylpropyl 2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-ethanoate Openeye Name: 3-aminopropyl 2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-acetate CAS Name: 2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonylacetic acid 3-aminopropyl ester IUPAC Name: 3-aminopropyl 2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonylacetate Traditional Name: 2-phenoxy-2-[4-(trifluoromethyl)phenyl]sulfonyl-acetic acid 3-aminopropyl ester Formula: C18H18F3NO5S MolecularWeight: 417.39943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C(=O)OCCCN)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC(C(=O)OCCCN)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3NO5S/c19-18(20,21)13-7-9-15(10-8-13)28(24,25)17(16(23)26-12-4-11-22)27-14-5-2-1-3-6-14/h1-3,5-10,17H,4,11-12,22H2