2-methyl-5-thiomorpholin-4-ylsulfonyl-benzoate

Systemtic Name: 2-methyl-5-thiomorpholin-4-ylsulfonyl-benzoate Openeye Name: 2-methyl-5-thiomorpholinosulfonyl-benzoate CAS Name: 2-methyl-5-thiomorpholin-4-ylsulfonylbenzoate IUPAC Name: 2-methyl-5-thiomorpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-thiomorpholinosulfonyl-benzoate Formula: C12H14NO4S2- MolecularWeight: 300.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCSCC2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCSCC2)C(=O)[O-]

InChI

InChI=1S/C12H15NO4S2/c1-9-2-3-10(8-11(9)12(14)15)19(16,17)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)/p-1