lithium 2-[[2-cyclohexylethyl-[[3-(2-methylphenyl)phenyl]methyl]-methylsulfonyl-azaniumyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[2-cyclohexylethyl-[[3-(2-methylphenyl)phenyl]methyl]-methylsulfonyl-azaniumyl]amino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[2-cyclohexylethyl-methylsulfonyl-[[3-(o-tolyl)phenyl]methyl]ammonio]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[2-cyclohexylethyl-[[3-(2-methylphenyl)phenyl]methyl]-methylsulfonylammonio]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[2-cyclohexylethyl-[[3-(2-methylphenyl)phenyl]methyl]-methylsulfonylazaniumyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[2-cyclohexylethyl-mesyl-[3-(o-tolyl)benzyl]ammonio]amino]-4-(methylthio)butyrate Formula: C28H40LiN2O4S2+ MolecularWeight: 539.6992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=CC(=CC=C2)C[N+](CCC3CCCCC3)(NC(CCSC)C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=CC(=CC=C2)C[N+](CCC3CCCCC3)(NC(CCSC)C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C28H40N2O4S2.Li/c1-22-10-7-8-15-26(22)25-14-9-13-24(20-25)21-30(36(3,33)34,18-16-23-11-5-4-6-12-23)29-27(28(31)32)17-19-35-2;/h7-10,13-15,20,23,27,29H,4-6,11-12,16-19,21H2,1-3H3;/q;+1