[2-[(1S)-1-azaniumylethyl]phenyl]-butylsulfonyl-azanide

Systemtic Name: [2-[(1S)-1-azaniumylethyl]phenyl]-butylsulfonyl-azanide Openeye Name: [2-[(1S)-1-azaniumylethyl]phenyl]-butylsulfonyl-azanide CAS Name: [2-[(1S)-1-ammonioethyl]phenyl]-butylsulfonylazanide IUPAC Name: [2-[(1S)-1-azaniumylethyl]phenyl]-butylsulfonylazanide Traditional Name: [2-[(1S)-1-ammonioethyl]phenyl]-butylsulfonyl-azanide Formula: C12H20N2O2S MolecularWeight: 256.3644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)[N-]C1=CC=CC=C1C(C)[NH3+]

Isomeric SMILES

CCCCS(=O)(=O)[N-]C1=CC=CC=C1[C@H](C)[NH3+]

InChI

InChI=1S/C12H19N2O2S/c1-3-4-9-17(15,16)14-12-8-6-5-7-11(12)10(2)13/h5-8,10H,3-4,9,13H2,1-2H3/q-1/p+1/t10-/m0/s1