[3-[3,4-bis(fluoranyl)phenyl]-5-oxidanylidene-5-phenylazanyl-pentyl] methanesulfonate

Systemtic Name: [3-[3,4-bis(fluoranyl)phenyl]-5-oxidanylidene-5-phenylazanyl-pentyl] methanesulfonate Openeye Name: [5-anilino-3-(3,4-difluorophenyl)-5-oxo-pentyl] methanesulfonate CAS Name: methanesulfonic acid [5-anilino-3-(3,4-difluorophenyl)-5-oxopentyl] ester IUPAC Name: [5-anilino-3-(3,4-difluorophenyl)-5-oxopentyl] methanesulfonate Traditional Name: methanesulfonic acid [5-anilino-3-(3,4-difluorophenyl)-5-keto-pentyl] ester Formula: C18H19F2NO4S MolecularWeight: 383.409566

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC(CC(=O)NC1=CC=CC=C1)C2=CC(=C(C=C2)F)F

Isomeric SMILES

CS(=O)(=O)OCCC(CC(=O)NC1=CC=CC=C1)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C18H19F2NO4S/c1-26(23,24)25-10-9-14(13-7-8-16(19)17(20)11-13)12-18(22)21-15-5-3-2-4-6-15/h2-8,11,14H,9-10,12H2,1H3,(H,21,22)