[(2S)-1-[2-(2,4-dichlorophenyl)ethylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(2,4-dichlorophenyl)ethylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-[2-(2,4-dichlorophenyl)ethylamino]-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(2,4-dichlorophenyl)ethylamino]-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-3-mesyl-propyl]ammonium Formula: C13H19Cl2N2O3S+ MolecularWeight: 354.27256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)[NH3+]

InChI

InChI=1S/C13H18Cl2N2O3S/c1-21(19,20)7-5-12(16)13(18)17-6-4-9-2-3-10(14)8-11(9)15/h2-3,8,12H,4-7,16H2,1H3,(H,17,18)/p+1/t12-/m0/s1