[3-(2-dimethylaminoethyl)-1-(phenylsulfonyl)indol-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(2-dimethylaminoethyl)-1-(phenylsulfonyl)indol-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [1-(benzenesulfonyl)-3-(2-dimethylaminoethyl)indol-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [1-(benzenesulfonyl)-3-(2-dimethylaminoethyl)-5-indolyl] ester IUPAC Name: [1-(benzenesulfonyl)-3-(2-dimethylaminoethyl)indol-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [1-besyl-3-(2-dimethylaminoethyl)indol-5-yl] ester Formula: C19H19F3N2O5S2 MolecularWeight: 476.48977

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CN(C2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCC1=CN(C2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19F3N2O5S2/c1-23(2)11-10-14-13-24(30(25,26)16-6-4-3-5-7-16)18-9-8-15(12-17(14)18)29-31(27,28)19(20,21)22/h3-9,12-13H,10-11H2,1-2H3