[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H18FNO5S MolecularWeight: 403.424023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FNO5S/c1-13(20(24)17-12-22-18-5-3-2-4-16(17)18)27-19(23)10-11-28(25,26)15-8-6-14(21)7-9-15/h2-9,12-13,22H,10-11H2,1H3