N-[2-[2,4-bis(fluoranyl)phenyl]sulfanyl-4-ethanoyl-phenyl]methanesulfonamide; N-phenylmethanesulfonamide

Systemtic Name: N-[2-[2,4-bis(fluoranyl)phenyl]sulfanyl-4-ethanoyl-phenyl]methanesulfonamide; N-phenylmethanesulfonamide Openeye Name: N-[4-acetyl-2-(2,4-difluorophenyl)sulfanyl-phenyl]methanesulfonamide; N-phenylmethanesulfonamide CAS Name: N-[4-acetyl-2-[(2,4-difluorophenyl)thio]phenyl]methanesulfonamide; N-phenylmethanesulfonamide IUPAC Name: N-[4-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide; N-phenylmethanesulfonamide Traditional Name: N-[4-acetyl-2-[(2,4-difluorophenyl)thio]phenyl]methanesulfonamide; N-phenylmethanesulfonamide Formula: C22H22F2N2O5S3 MolecularWeight: 528.612286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)SC2=C(C=C(C=C2)F)F.CS(=O)(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)SC2=C(C=C(C=C2)F)F.CS(=O)(=O)NC1=CC=CC=C1

InChI

InChI=1S/C15H13F2NO3S2.C7H9NO2S/c1-9(19)10-3-5-13(18-23(2,20)21)15(7-10)22-14-6-4-11(16)8-12(14)17;1-11(9,10)8-7-5-3-2-4-6-7/h3-8,18H,1-2H3;2-6,8H,1H3