[4-(2-benzamidoethyl)-6-tert-butylsulfanyl-naphthalen-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(2-benzamidoethyl)-6-tert-butylsulfanyl-naphthalen-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(2-benzamidoethyl)-6-tert-butylsulfanyl-2-naphthyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(2-benzamidoethyl)-6-(tert-butylthio)-2-naphthalenyl] ester IUPAC Name: [4-(2-benzamidoethyl)-6-tert-butylsulfanylnaphthalen-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(2-benzamidoethyl)-6-(tert-butylthio)-2-naphthyl] ester Formula: C24H24F3NO4S2 MolecularWeight: 511.57687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC2=C(C=C(C=C2C=C1)OS(=O)(=O)C(F)(F)F)CCNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)SC1=CC2=C(C=C(C=C2C=C1)OS(=O)(=O)C(F)(F)F)CCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H24F3NO4S2/c1-23(2,3)33-20-10-9-17-13-19(32-34(30,31)24(25,26)27)14-18(21(17)15-20)11-12-28-22(29)16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,28,29)