sodium 3-acetamido-5-azanyl-4-methyl-benzenesulfonate

Systemtic Name: sodium 3-acetamido-5-azanyl-4-methyl-benzenesulfonate Openeye Name: sodium 3-acetamido-5-amino-4-methyl-benzenesulfonate CAS Name: sodium 3-acetamido-5-amino-4-methylbenzenesulfonate IUPAC Name: sodium 3-acetamido-5-amino-4-methylbenzenesulfonate Traditional Name: sodium 3-acetamido-5-amino-4-methyl-besylate Formula: C9H11N2NaO4S MolecularWeight: 266.24941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)[O-])NC(=O)C.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)[O-])NC(=O)C.[Na+]

InChI

InChI=1S/C9H12N2O4S.Na/c1-5-8(10)3-7(16(13,14)15)4-9(5)11-6(2)12;/h3-4H,10H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1