[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C20H20FNO5S MolecularWeight: 405.439903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FNO5S/c21-16-5-8-18(9-6-16)28(25,26)11-10-20(24)27-13-19(23)22-17-7-4-14-2-1-3-15(14)12-17/h4-9,12H,1-3,10-11,13H2,(H,22,23)