diethyl-[[2-[[3-(4-methylphenyl)sulfonylpropanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[3-(4-methylphenyl)sulfonylpropanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[3-(p-tolylsulfonyl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[3-(4-methylphenyl)sulfonylpropanoylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[(3-tosylpropanoylamino)methyl]benzyl]ammonium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H30N2O3S/c1-4-24(5-2)17-20-9-7-6-8-19(20)16-23-22(25)14-15-28(26,27)21-12-10-18(3)11-13-21/h6-13H,4-5,14-17H2,1-3H3,(H,23,25)/p+1