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

Systemtic Name: methylsulfonyl-[2-[[(1S)-1-phenylpropyl]azaniumyl]ethyl]azanide Openeye Name: methylsulfonyl-[2-[[(1S)-1-phenylpropyl]ammonio]ethyl]azanide CAS Name: methylsulfonyl-[2-[[(1S)-1-phenylpropyl]ammonio]ethyl]azanide IUPAC Name: methylsulfonyl-[2-[[(1S)-1-phenylpropyl]azaniumyl]ethyl]azanide Traditional Name: mesyl-[2-[[(1S)-1-phenylpropyl]ammonio]ethyl]azanide Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N2O2S/c1-3-12(11-7-5-4-6-8-11)13-9-10-14-17(2,15)16/h4-8,12-13H,3,9-10H2,1-2H3/q-1/p+1/t12-/m0/s1