diethyl-[[2-[[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[(2-methyl-5-methylsulfonyl-benzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(2-methyl-5-methylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[(5-mesyl-2-methyl-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=CC=C1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-5-23(6-2)15-18-10-8-7-9-17(18)14-22-21(24)20-13-19(27(4,25)26)12-11-16(20)3/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)/p+1