methylsulfonyl-[2-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]azaniumyl]ethyl]azanide

Systemtic Name: methylsulfonyl-[2-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]azaniumyl]ethyl]azanide Openeye Name: methylsulfonyl-[2-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonio]ethyl]azanide CAS Name: methylsulfonyl-[2-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonio]ethyl]azanide IUPAC Name: methylsulfonyl-[2-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]azaniumyl]ethyl]azanide Traditional Name: mesyl-[2-[[(1S)-1-(4-mesylphenyl)ethyl]ammonio]ethyl]azanide Formula: C12H20N2O4S2 MolecularWeight: 320.4282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC[N-]S(=O)(=O)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC[N-]S(=O)(=O)C

InChI

InChI=1S/C12H19N2O4S2/c1-10(13-8-9-14-20(3,17)18)11-4-6-12(7-5-11)19(2,15)16/h4-7,10,13H,8-9H2,1-3H3/q-1/p+1/t10-/m0/s1