sodium N-[3-(dimethylamino)-5-methyl-4-(2-methylprop-2-enoylamino)phenyl]iminosulfamate

Systemtic Name: sodium N-[3-(dimethylamino)-5-methyl-4-(2-methylprop-2-enoylamino)phenyl]iminosulfamate Openeye Name: sodium N-[3-(dimethylamino)-5-methyl-4-(2-methylprop-2-enoylamino)phenyl]iminosulfamate CAS Name: sodium N-[3-(dimethylamino)-5-methyl-4-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]iminosulfamate IUPAC Name: sodium N-[3-(dimethylamino)-5-methyl-4-(2-methylprop-2-enoylamino)phenyl]iminosulfamate Traditional Name: sodium N-[3-(dimethylamino)-4-methacrylamido-5-methyl-phenyl]iminosulfamate Formula: C13H17N4NaO4S MolecularWeight: 348.35325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C(=C)C)N(C)C)N=NS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C(=C)C)N(C)C)N=NS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H18N4O4S.Na/c1-8(2)13(18)14-12-9(3)6-10(7-11(12)17(4)5)15-16-22(19,20)21;/h6-7H,1H2,2-5H3,(H,14,18)(H,19,20,21);/q;+1/p-1