[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H18FNO5S MolecularWeight: 379.402623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO5S/c19-15-6-8-16(9-7-15)26(23,24)11-10-18(22)25-13-17(21)20-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21)