2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanesulfonic acid Openeye Name: 2-(4-methylsulfonyl-2-nitro-anilino)ethanesulfonic acid CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)ethanesulfonic acid IUPAC Name: 2-(4-methylsulfonyl-2-nitroanilino)ethanesulfonic acid Traditional Name: 2-(4-mesyl-2-nitro-anilino)ethanesulfonic acid Formula: C9H12N2O7S2 MolecularWeight: 324.33078

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O7S2/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)