3-ethoxy-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 3-ethoxy-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 3-ethoxy-3-oxo-2-(p-tolylsulfonylamino)propane-1-sulfonic acid CAS Name: 3-ethoxy-2-[(4-methylphenyl)sulfonylamino]-3-oxo-1-propanesulfonic acid IUPAC Name: 3-ethoxy-2-[(4-methylphenyl)sulfonylamino]-3-oxopropane-1-sulfonic acid Traditional Name: 3-ethoxy-3-keto-2-(tosylamino)propane-1-sulfonic acid Formula: C12H17NO7S2 MolecularWeight: 351.39588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS(=O)(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(CS(=O)(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H17NO7S2/c1-3-20-12(14)11(8-21(15,16)17)13-22(18,19)10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3,(H,15,16,17)