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

Systemtic Name: methylsulfonyl-[2-[[(1S)-1-phenylbutyl]azaniumyl]ethyl]azanide Openeye Name: methylsulfonyl-[2-[[(1S)-1-phenylbutyl]ammonio]ethyl]azanide CAS Name: methylsulfonyl-[2-[[(1S)-1-phenylbutyl]ammonio]ethyl]azanide IUPAC Name: methylsulfonyl-[2-[[(1S)-1-phenylbutyl]azaniumyl]ethyl]azanide Traditional Name: mesyl-[2-[[(1S)-1-phenylbutyl]ammonio]ethyl]azanide Formula: C13H22N2O2S MolecularWeight: 270.39098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N2O2S/c1-3-7-13(12-8-5-4-6-9-12)14-10-11-15-18(2,16)17/h4-6,8-9,13-14H,3,7,10-11H2,1-2H3/q-1/p+1/t13-/m0/s1