sodium N-[5-methoxy-2-methyl-4-(prop-2-enoylamino)phenyl]iminosulfamate

Systemtic Name: sodium N-[5-methoxy-2-methyl-4-(prop-2-enoylamino)phenyl]iminosulfamate Openeye Name: sodium N-[5-methoxy-2-methyl-4-(prop-2-enoylamino)phenyl]iminosulfamate CAS Name: sodium N-[5-methoxy-2-methyl-4-(1-oxoprop-2-enylamino)phenyl]iminosulfamate IUPAC Name: sodium N-[5-methoxy-2-methyl-4-(prop-2-enoylamino)phenyl]iminosulfamate Traditional Name: sodium N-(4-acrylamido-5-methoxy-2-methyl-phenyl)iminosulfamate Formula: C11H12N3NaO5S MolecularWeight: 321.28485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NS(=O)(=O)[O-])OC)NC(=O)C=C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NS(=O)(=O)[O-])OC)NC(=O)C=C.[Na+]

InChI

InChI=1S/C11H13N3O5S.Na/c1-4-11(15)12-9-5-7(2)8(6-10(9)19-3)13-14-20(16,17)18;/h4-6H,1H2,2-3H3,(H,12,15)(H,16,17,18);/q;+1/p-1