2-[ethyl(methylsulfonyl)amino]-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-[ethyl(methylsulfonyl)amino]-4-methylsulfonyl-benzoic acid Openeye Name: 2-[ethyl(methylsulfonyl)amino]-4-methylsulfonyl-benzoic acid CAS Name: 2-[ethyl(methylsulfonyl)amino]-4-methylsulfonylbenzoic acid IUPAC Name: 2-[ethyl(methylsulfonyl)amino]-4-methylsulfonylbenzoic acid Traditional Name: 2-[ethyl(mesyl)amino]-4-mesyl-benzoic acid Formula: C11H15NO6S2 MolecularWeight: 321.3699

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1)S(=O)(=O)C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCN(C1=C(C=CC(=C1)S(=O)(=O)C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H15NO6S2/c1-4-12(20(3,17)18)10-7-8(19(2,15)16)5-6-9(10)11(13)14/h5-7H,4H2,1-3H3,(H,13,14)