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

Systemtic Name: sodium 4-[(4-methylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: sodium 4-(4-methylsulfonyl-2-nitro-anilino)butanoate CAS Name: sodium 4-(4-methylsulfonyl-2-nitroanilino)butanoate IUPAC Name: sodium 4-(4-methylsulfonyl-2-nitroanilino)butanoate Traditional Name: sodium 4-(4-mesyl-2-nitro-anilino)butyrate Formula: C11H13N2NaO6S MolecularWeight: 324.28549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O6S.Na/c1-20(18,19)8-4-5-9(10(7-8)13(16)17)12-6-2-3-11(14)15;/h4-5,7,12H,2-3,6H2,1H3,(H,14,15);/q;+1/p-1