sodium 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanesulfonate

Systemtic Name: sodium 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanesulfonate Openeye Name: sodium 2-(4-methylsulfonyl-2-nitro-anilino)ethanesulfonate CAS Name: sodium 2-(4-methylsulfonyl-2-nitroanilino)ethanesulfonate IUPAC Name: sodium 2-(4-methylsulfonyl-2-nitroanilino)ethanesulfonate Traditional Name: sodium 2-(4-mesyl-2-nitro-anilino)ethanesulfonate Formula: C9H11N2NaO7S2 MolecularWeight: 346.31261

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C9H12N2O7S2.Na/c1-19(14,15)7-2-3-8(9(6-7)11(12)13)10-4-5-20(16,17)18;/h2-3,6,10H,4-5H2,1H3,(H,16,17,18);/q;+1/p-1