[(2R)-1-[(4-methylsulfanylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[(4-methylsulfanylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[(4-methylsulfanylphenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-4-methylsulfonyl-1-[4-(methylthio)anilino]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-(4-methylsulfanylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-3-mesyl-1-[[4-(methylthio)phenyl]carbamoyl]propyl]ammonium Formula: C12H19N2O3S2+ MolecularWeight: 303.42086

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)[NH3+]

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)[C@@H](CCS(=O)(=O)C)[NH3+]

InChI

InChI=1S/C12H18N2O3S2/c1-18-10-5-3-9(4-6-10)14-12(15)11(13)7-8-19(2,16)17/h3-6,11H,7-8,13H2,1-2H3,(H,14,15)/p+1/t11-/m1/s1