[(1S)-2-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)benzoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)benzoyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: dimethyl-[(1S)-2-[[3-(piperonylsulfamoyl)benzoyl]amino]-1-(3-thienyl)ethyl]ammonium Formula: C23H26N3O5S2+ MolecularWeight: 488.59964

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C4=CSC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C4=CSC=C4

InChI

InChI=1S/C23H25N3O5S2/c1-26(2)20(18-8-9-32-14-18)13-24-23(27)17-4-3-5-19(11-17)33(28,29)25-12-16-6-7-21-22(10-16)31-15-30-21/h3-11,14,20,25H,12-13,15H2,1-2H3,(H,24,27)/p+1/t20-/m1/s1