2-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: 2-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonio]ethyl-methylsulfonyl-azanide CAS Name: 2-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azaniumyl]ethyl-methylsulfonylazanide Traditional Name: 2-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonio]ethyl-mesyl-azanide Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)[NH2+]CC[N-]S(=O)(=O)C

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH2+]CC[N-]S(=O)(=O)C

InChI

InChI=1S/C14H21N2O4S/c1-11(15-6-7-16-21(2,17)18)12-4-5-13-14(10-12)20-9-3-8-19-13/h4-5,10-11,15H,3,6-9H2,1-2H3/q-1/p+1/t11-/m0/s1