4-(2-azaniumylethylsulfonylamino)benzenecarboximidate

Systemtic Name: 4-(2-azaniumylethylsulfonylamino)benzenecarboximidate Openeye Name: 4-(2-azaniumylethylsulfonylamino)benzenecarboximidate CAS Name: 4-(2-ammonioethylsulfonylamino)benzenecarboximidate IUPAC Name: 4-(2-azaniumylethylsulfonylamino)benzenecarboximidate Traditional Name: 4-(2-ammonioethylsulfonylamino)benzenecarboximidate Formula: C9H13N3O3S MolecularWeight: 243.28282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O3S/c10-5-6-16(14,15)12-8-3-1-7(2-4-8)9(11)13/h1-4,12H,5-6,10H2,(H2,11,13)