[2-[[(4-methylphenyl)sulfonylamino]methyl]-2-oxidanyl-3-sulfooxy-propyl] ethanoate

Systemtic Name: [2-[[(4-methylphenyl)sulfonylamino]methyl]-2-oxidanyl-3-sulfooxy-propyl] ethanoate Openeye Name: [2-hydroxy-2-[(p-tolylsulfonylamino)methyl]-3-sulfooxy-propyl] acetate CAS Name: acetic acid [2-hydroxy-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-sulfooxypropyl] ester IUPAC Name: [2-hydroxy-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-sulfooxypropyl] acetate Traditional Name: acetic acid [2-hydroxy-2-(sulfoxymethyl)-3-(tosylamino)propyl] ester Formula: C13H19NO9S2 MolecularWeight: 397.42126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(COC(=O)C)(COS(=O)(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(COC(=O)C)(COS(=O)(=O)O)O

InChI

InChI=1S/C13H19NO9S2/c1-10-3-5-12(6-4-10)24(17,18)14-7-13(16,8-22-11(2)15)9-23-25(19,20)21/h3-6,14,16H,7-9H2,1-2H3,(H,19,20,21)