[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[2-(4-sulfamoylphenyl)ethylcarbamoyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[2-(4-sulfamoylphenyl)ethylcarbamoyl]propyl]ammonium Formula: C13H22N3O3S+ MolecularWeight: 300.39708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O3S/c1-9(2)12(14)13(17)16-8-7-10-3-5-11(6-4-10)20(15,18)19/h3-6,9,12H,7-8,14H2,1-2H3,(H,16,17)(H2,15,18,19)/p+1/t12-/m0/s1