N-[1-fluoranyl-1,1-bis(phenylsulfonyl)heptan-3-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1-fluoranyl-1,1-bis(phenylsulfonyl)heptan-3-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-[2,2-bis(benzenesulfonyl)-2-fluoro-ethyl]pentyl]-4-methyl-benzenesulfonamide CAS Name: N-[1,1-bis(benzenesulfonyl)-1-fluoroheptan-3-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1,1-bis(benzenesulfonyl)-1-fluoroheptan-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-(2,2-dibesyl-2-fluoro-ethyl)pentyl]-4-methyl-benzenesulfonamide Formula: C26H30FNO6S3 MolecularWeight: 567.712903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(F)(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC(CC(F)(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H30FNO6S3/c1-3-4-11-22(28-37(33,34)25-18-16-21(2)17-19-25)20-26(27,35(29,30)23-12-7-5-8-13-23)36(31,32)24-14-9-6-10-15-24/h5-10,12-19,22,28H,3-4,11,20H2,1-2H3