[6-methoxy-4-[2-(propanoylamino)ethyl]naphthalen-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-methoxy-4-[2-(propanoylamino)ethyl]naphthalen-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-methoxy-4-[2-(propanoylamino)ethyl]-2-naphthyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-methoxy-4-[2-(1-oxopropylamino)ethyl]-2-naphthalenyl] ester IUPAC Name: [6-methoxy-4-[2-(propanoylamino)ethyl]naphthalen-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-methoxy-4-(2-propionamidoethyl)-2-naphthyl] ester Formula: C17H18F3NO5S MolecularWeight: 405.38873

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCC1=C2C=C(C=CC2=CC(=C1)OS(=O)(=O)C(F)(F)F)OC

Isomeric SMILES

CCC(=O)NCCC1=C2C=C(C=CC2=CC(=C1)OS(=O)(=O)C(F)(F)F)OC

InChI

InChI=1S/C17H18F3NO5S/c1-3-16(22)21-7-6-12-9-14(26-27(23,24)17(18,19)20)8-11-4-5-13(25-2)10-15(11)12/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,22)