[4-(4-azanyl-3-methyl-4-oxidanylidene-butyl)-6-methoxy-naphthalen-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(4-azanyl-3-methyl-4-oxidanylidene-butyl)-6-methoxy-naphthalen-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-amino-3-methyl-4-oxo-butyl)-6-methoxy-2-naphthyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(4-amino-3-methyl-4-oxobutyl)-6-methoxy-2-naphthalenyl] ester IUPAC Name: [4-(4-amino-3-methyl-4-oxobutyl)-6-methoxynaphthalen-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(4-amino-4-keto-3-methyl-butyl)-6-methoxy-2-naphthyl] ester Formula: C17H18F3NO5S MolecularWeight: 405.38873

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C2C=C(C=CC2=CC(=C1)OS(=O)(=O)C(F)(F)F)OC)C(=O)N

Isomeric SMILES

CC(CCC1=C2C=C(C=CC2=CC(=C1)OS(=O)(=O)C(F)(F)F)OC)C(=O)N

InChI

InChI=1S/C17H18F3NO5S/c1-10(16(21)22)3-4-11-7-14(26-27(23,24)17(18,19)20)8-12-5-6-13(25-2)9-15(11)12/h5-10H,3-4H2,1-2H3,(H2,21,22)