diethyl-[[4-[[[3-(methylsulfonylmethyl)phenyl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[[3-(methylsulfonylmethyl)phenyl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[[3-(methylsulfonylmethyl)benzoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[[3-(methylsulfonylmethyl)benzoyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[[3-(mesylmethyl)benzoyl]amino]methyl]benzyl]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)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-4-23(5-2)15-18-11-9-17(10-12-18)14-22-21(24)20-8-6-7-19(13-20)16-27(3,25)26/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)/p+1