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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[3-(thiophen-2-ylmethylsulfamoyl)phenyl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[3-(2-thienylmethylsulfamoyl)benzoyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[3-(thiophen-2-ylmethylsulfamoyl)benzoyl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[3-(2-thenylsulfamoyl)benzoyl]amino]ethyl]ammonium Formula: C22H26N3O3S2+ MolecularWeight: 444.59014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S2/c1-25(2)21(17-8-4-3-5-9-17)16-23-22(26)18-10-6-12-20(14-18)30(27,28)24-15-19-11-7-13-29-19/h3-14,21,24H,15-16H2,1-2H3,(H,23,26)/p+1/t21-/m1/s1