diethyl-[[4-[[3-(phenylsulfonyl)propanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[3-(phenylsulfonyl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: [4-[[3-(benzenesulfonyl)propanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[3-(benzenesulfonyl)-1-oxopropyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[3-(benzenesulfonyl)propanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[(3-besylpropanoylamino)methyl]benzyl]-diethyl-ammonium Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-3-23(4-2)17-19-12-10-18(11-13-19)16-22-21(24)14-15-27(25,26)20-8-6-5-7-9-20/h5-13H,3-4,14-17H2,1-2H3,(H,22,24)/p+1