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

Systemtic Name: [2-[[3-(4-chlorophenyl)sulfonylpropanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[3-(4-chlorophenyl)sulfonylpropanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[3-(4-chlorophenyl)sulfonyl-1-oxopropyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[3-(4-chlorophenyl)sulfonylpropanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[3-(4-chlorophenyl)sulfonylpropanoylamino]methyl]benzyl]-diethyl-ammonium Formula: C21H28ClN2O3S+ MolecularWeight: 423.97662

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3S/c1-3-24(4-2)16-18-8-6-5-7-17(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