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

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[2-(4-sulfamoylphenyl)ethylcarbamoyl]propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[2-(4-sulfamoylphenyl)ethylcarbamoyl]propyl]ammonium Formula: C13H22N3O3S2+ MolecularWeight: 332.46208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)[NH3+]

InChI

InChI=1S/C13H21N3O3S2/c1-20-9-7-12(14)13(17)16-8-6-10-2-4-11(5-3-10)21(15,18)19/h2-5,12H,6-9,14H2,1H3,(H,16,17)(H2,15,18,19)/p+1/t12-/m0/s1