3,4-dimethyl-5-thiomorpholin-4-ylsulfonyl-benzoate

Systemtic Name: 3,4-dimethyl-5-thiomorpholin-4-ylsulfonyl-benzoate Openeye Name: 3,4-dimethyl-5-thiomorpholinosulfonyl-benzoate CAS Name: 3,4-dimethyl-5-thiomorpholin-4-ylsulfonylbenzoate IUPAC Name: 3,4-dimethyl-5-thiomorpholin-4-ylsulfonylbenzoate Traditional Name: 3,4-dimethyl-5-thiomorpholinosulfonyl-benzoate Formula: C13H16NO4S2- MolecularWeight: 314.40044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S2/c1-9-7-11(13(15)16)8-12(10(9)2)20(17,18)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3,(H,15,16)/p-1