2-[ethanoyl-(4-methylphenyl)sulfonyl-amino]ethanesulfonic acid

Systemtic Name: 2-[ethanoyl-(4-methylphenyl)sulfonyl-amino]ethanesulfonic acid Openeye Name: 2-[acetyl(p-tolylsulfonyl)amino]ethanesulfonic acid CAS Name: 2-[acetyl-(4-methylphenyl)sulfonylamino]ethanesulfonic acid IUPAC Name: 2-[acetyl-(4-methylphenyl)sulfonylamino]ethanesulfonic acid Traditional Name: 2-[acetyl(tosyl)amino]ethanesulfonic acid Formula: C11H15NO6S2 MolecularWeight: 321.3699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCS(=O)(=O)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCS(=O)(=O)O)C(=O)C

InChI

InChI=1S/C11H15NO6S2/c1-9-3-5-11(6-4-9)20(17,18)12(10(2)13)7-8-19(14,15)16/h3-6H,7-8H2,1-2H3,(H,14,15,16)