[(2R)-1-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-[[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)benzoyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium CAS Name: [(2R)-1-[[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]-oxomethyl]amino]-3-methylbutan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)benzoyl]amino]-3-methylbutan-2-yl]-dimethylazanium Traditional Name: dimethyl-[(1R)-2-methyl-1-[[[3-(piperonylsulfamoyl)benzoyl]amino]methyl]propyl]ammonium Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-15(2)19(25(3)4)13-23-22(26)17-6-5-7-18(11-17)31(27,28)24-12-16-8-9-20-21(10-16)30-14-29-20/h5-11,15,19,24H,12-14H2,1-4H3,(H,23,26)/p+1/t19-/m0/s1