2-(4-bromophenyl)sulfonylethyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: 2-(4-bromophenyl)sulfonylethyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 2-(4-bromophenyl)sulfonylethyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 2-(4-bromophenyl)sulfonylethyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 2-(4-bromophenyl)sulfonylethyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: 2-brosylethyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H21BrNO2S2+ MolecularWeight: 415.38814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)(=O)C1=CC=C(C=C1)Br)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+](CCS(=O)(=O)C1=CC=C(C=C1)Br)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H20BrNO2S2/c1-19(13-14-3-7-16(22-2)8-4-14)11-12-23(20,21)17-9-5-15(18)6-10-17/h3-10H,11-13H2,1-2H3/p+1