cyclohexyl-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]methyl]-methylazanium Traditional Name: cyclohexyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzyl]-methyl-ammonium Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4CCCCC4

InChI

InChI=1S/C22H28N2O4S/c1-24(18-8-3-2-4-9-18)16-17-7-5-6-10-20(17)23-29(25,26)19-11-12-21-22(15-19)28-14-13-27-21/h5-7,10-12,15,18,23H,2-4,8-9,13-14,16H2,1H3/p+1