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

Systemtic Name: diethyl-[[4-[[3-(4-fluorophenyl)sulfonylpropanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[3-(4-fluorophenyl)sulfonylpropanoylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[3-(4-fluorophenyl)sulfonyl-1-oxopropyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[3-(4-fluorophenyl)sulfonylpropanoylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[3-(4-fluorophenyl)sulfonylpropanoylamino]methyl]benzyl]ammonium Formula: C21H28FN2O3S+ MolecularWeight: 407.522023

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H27FN2O3S/c1-3-24(4-2)16-18-7-5-17(6-8-18)15-23-21(25)13-14-28(26,27)20-11-9-19(22)10-12-20/h5-12H,3-4,13-16H2,1-2H3,(H,23,25)/p+1