4-butoxy-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]benzenesulfonamide Openeye Name: 4-butoxy-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]benzenesulfonamide CAS Name: 4-butoxy-N-[2-[(4-fluorophenyl)methylthio]-2-methylpropyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzenesulfonamide Traditional Name: 4-butoxy-N-[2-[(4-fluorobenzyl)thio]-2-methyl-propyl]benzenesulfonamide Formula: C21H28FNO3S2 MolecularWeight: 425.580323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NCC(C)(C)SCC2=CC=C(C=C2)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NCC(C)(C)SCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H28FNO3S2/c1-4-5-14-26-19-10-12-20(13-11-19)28(24,25)23-16-21(2,3)27-15-17-6-8-18(22)9-7-17/h6-13,23H,4-5,14-16H2,1-3H3