3-oxidanylidene-6-[[(3S)-piperidin-1-ium-3-yl]sulfonylamino]isoindol-1-olate

Systemtic Name: 3-oxidanylidene-6-[[(3S)-piperidin-1-ium-3-yl]sulfonylamino]isoindol-1-olate Openeye Name: 3-oxo-6-[[(3S)-piperidin-1-ium-3-yl]sulfonylamino]isoindol-1-olate CAS Name: 3-oxo-6-[[(3S)-3-piperidin-1-iumyl]sulfonylamino]-1-isoindololate IUPAC Name: 3-oxo-6-[[(3S)-piperidin-1-ium-3-yl]sulfonylamino]isoindol-1-olate Traditional Name: 3-keto-6-[[(3S)-piperidin-1-ium-3-yl]sulfonylamino]isoindol-1-olate Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)S(=O)(=O)NC2=CC3=C(C=C2)C(=O)N=C3[O-]

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)S(=O)(=O)NC2=CC3=C(C=C2)C(=O)N=C3[O-]

InChI

InChI=1S/C13H15N3O4S/c17-12-10-4-3-8(6-11(10)13(18)15-12)16-21(19,20)9-2-1-5-14-7-9/h3-4,6,9,14,16H,1-2,5,7H2,(H,15,17,18)/t9-/m0/s1