2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylphenyl)sulfonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylphenyl)sulfonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(p-tolylsulfonyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylphenyl)sulfonylamino]ethyl-diethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylphenyl)sulfonylamino]ethyl-diethylazanium Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(tosyl)amino]ethyl-diethyl-ammonium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N2O4S/c1-4-22(5-2)12-13-23(28(24,25)19-9-6-17(3)7-10-19)18-8-11-20-21(16-18)27-15-14-26-20/h6-11,16H,4-5,12-15H2,1-3H3/p+1