2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]ethyl-diethyl-ammonium Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H27N3O5S/c1-3-24(4-2)12-11-22-21(25)16-5-7-17(8-6-16)23-30(26,27)18-9-10-19-20(15-18)29-14-13-28-19/h5-10,15,23H,3-4,11-14H2,1-2H3,(H,22,25)/p+1