sodium N-[3,5-dimethoxy-4-(prop-2-enoylamino)phenyl]iminosulfamate

Systemtic Name: sodium N-[3,5-dimethoxy-4-(prop-2-enoylamino)phenyl]iminosulfamate Openeye Name: sodium N-[3,5-dimethoxy-4-(prop-2-enoylamino)phenyl]iminosulfamate CAS Name: sodium N-[3,5-dimethoxy-4-(1-oxoprop-2-enylamino)phenyl]iminosulfamate IUPAC Name: sodium N-[3,5-dimethoxy-4-(prop-2-enoylamino)phenyl]iminosulfamate Traditional Name: sodium N-(4-acrylamido-3,5-dimethoxy-phenyl)iminosulfamate Formula: C11H12N3NaO6S MolecularWeight: 337.28425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1NC(=O)C=C)OC)N=NS(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1NC(=O)C=C)OC)N=NS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H13N3O6S.Na/c1-4-10(15)12-11-8(19-2)5-7(6-9(11)20-3)13-14-21(16,17)18;/h4-6H,1H2,2-3H3,(H,12,15)(H,16,17,18);/q;+1/p-1