2-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)benzoyl]amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[[3-(piperonylsulfamoyl)benzoyl]amino]ethyl]ammonium Formula: C21H28N3O5S+ MolecularWeight: 434.52912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3

InChI

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