cyclohexyl-methyl-[[2-[(3-methylsulfonylphenyl)carbonylamino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[(3-methylsulfonylphenyl)carbonylamino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[(3-methylsulfonylbenzoyl)amino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[(3-methylsulfonylbenzoyl)amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-[(3-mesylbenzoyl)amino]benzyl]-methyl-ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C3CCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-24(19-11-4-3-5-12-19)16-18-9-6-7-14-21(18)23-22(25)17-10-8-13-20(15-17)28(2,26)27/h6-10,13-15,19H,3-5,11-12,16H2,1-2H3,(H,23,25)/p+1