2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: methylsulfonyl-[2-[[(4S)-thiochroman-4-yl]ammonio]ethyl]azanide CAS Name: 2-[[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]ammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]azaniumyl]ethyl-methylsulfonylazanide Traditional Name: mesyl-[2-[[(4S)-thiochroman-4-yl]ammonio]ethyl]azanide Formula: C12H18N2O2S2 MolecularWeight: 286.41352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N-]CC[NH2+]C1CCSC2=CC=CC=C12

Isomeric SMILES

CS(=O)(=O)[N-]CC[NH2+][C@H]1CCSC2=CC=CC=C12

InChI

InChI=1S/C12H17N2O2S2/c1-18(15,16)14-8-7-13-11-6-9-17-12-5-3-2-4-10(11)12/h2-5,11,13H,6-9H2,1H3/q-1/p+1/t11-/m0/s1