N-[(4-fluorophenyl)methyl]-1-methylsulfanyl-ethanamine; methylsulfonylbenzene

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-methylsulfanyl-ethanamine; methylsulfonylbenzene Openeye Name: N-[(4-fluorophenyl)methyl]-1-methylsulfanyl-ethanamine; methylsulfonylbenzene CAS Name: N-[(4-fluorophenyl)methyl]-1-(methylthio)ethanamine; methylsulfonylbenzene IUPAC Name: N-[(4-fluorophenyl)methyl]-1-methylsulfanylethanamine; methylsulfonylbenzene Traditional Name: (4-fluorobenzyl)-[1-(methylthio)ethyl]amine; mesylbenzene Formula: C17H22FNO2S2 MolecularWeight: 355.490483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NCC1=CC=C(C=C1)F)SC.CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(NCC1=CC=C(C=C1)F)SC.CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H14FNS.C7H8O2S/c1-8(13-2)12-7-9-3-5-10(11)6-4-9;1-10(8,9)7-5-3-2-4-6-7/h3-6,8,12H,7H2,1-2H3;2-6H,1H3