[(2S)-4-methylsulfonyl-1-oxidanylidene-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfonyl-1-oxidanylidene-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfonyl-1-(4-thiazol-2-ylpiperazine-1-carbonyl)propyl]ammonium CAS Name: [(2S)-4-methylsulfonyl-1-oxo-1-[4-(2-thiazolyl)-1-piperazinyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfonyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]azanium Traditional Name: [(1S)-3-mesyl-1-(4-thiazol-2-ylpiperazine-1-carbonyl)propyl]ammonium Formula: C12H21N4O3S2+ MolecularWeight: 333.45014

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C2=NC=CS2)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)N1CCN(CC1)C2=NC=CS2)[NH3+]

InChI

InChI=1S/C12H20N4O3S2/c1-21(18,19)9-2-10(13)11(17)15-4-6-16(7-5-15)12-14-3-8-20-12/h3,8,10H,2,4-7,9,13H2,1H3/p+1/t10-/m0/s1