[3-[(1S)-1-azaniumylethyl]phenyl]-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]azanide

Systemtic Name: [3-[(1S)-1-azaniumylethyl]phenyl]-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]azanide Openeye Name: [3-[(1S)-1-azaniumylethyl]phenyl]-[(5-methylisoxazol-3-yl)methylsulfonyl]azanide CAS Name: [3-[(1S)-1-ammonioethyl]phenyl]-[(5-methyl-3-isoxazolyl)methylsulfonyl]azanide IUPAC Name: [3-[(1S)-1-azaniumylethyl]phenyl]-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]azanide Traditional Name: [3-[(1S)-1-ammonioethyl]phenyl]-[(5-methylisoxazol-3-yl)methylsulfonyl]azanide Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CS(=O)(=O)[N-]C2=CC=CC(=C2)C(C)[NH3+]

Isomeric SMILES

CC1=CC(=NO1)CS(=O)(=O)[N-]C2=CC=CC(=C2)[C@H](C)[NH3+]

InChI

InChI=1S/C13H16N3O3S/c1-9-6-13(15-19-9)8-20(17,18)16-12-5-3-4-11(7-12)10(2)14/h3-7,10H,8,14H2,1-2H3/q-1/p+1/t10-/m0/s1