[6-methoxy-4-[4-(methylamino)-4-oxidanylidene-butyl]naphthalen-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-methoxy-4-[4-(methylamino)-4-oxidanylidene-butyl]naphthalen-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-methoxy-4-[4-(methylamino)-4-oxo-butyl]-2-naphthyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-methoxy-4-[4-(methylamino)-4-oxobutyl]-2-naphthalenyl] ester IUPAC Name: [6-methoxy-4-[4-(methylamino)-4-oxobutyl]naphthalen-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[4-keto-4-(methylamino)butyl]-6-methoxy-2-naphthyl] ester Formula: C17H18F3NO5S MolecularWeight: 405.38873

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCCC1=C2C=C(C=CC2=CC(=C1)OS(=O)(=O)C(F)(F)F)OC

Isomeric SMILES

CNC(=O)CCCC1=C2C=C(C=CC2=CC(=C1)OS(=O)(=O)C(F)(F)F)OC

InChI

InChI=1S/C17H18F3NO5S/c1-21-16(22)5-3-4-11-8-14(26-27(23,24)17(18,19)20)9-12-6-7-13(25-2)10-15(11)12/h6-10H,3-5H2,1-2H3,(H,21,22)