[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(4-sulfamoylphenyl)methylamino]butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(4-sulfamoylphenyl)methylamino]butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[(4-sulfamoylphenyl)methylcarbamoyl]propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-[(4-sulfamoylphenyl)methylamino]butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[(4-sulfamoylbenzyl)carbamoyl]propyl]ammonium Formula: C12H20N3O3S2+ MolecularWeight: 318.4355

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)[NH3+]

InChI

InChI=1S/C12H19N3O3S2/c1-19-7-6-11(13)12(16)15-8-9-2-4-10(5-3-9)20(14,17)18/h2-5,11H,6-8,13H2,1H3,(H,15,16)(H2,14,17,18)/p+1/t11-/m0/s1