2,4-dimethyl-5-thiomorpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2,4-dimethyl-5-thiomorpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2,4-dimethyl-5-thiomorpholinosulfonyl-benzoic acid CAS Name: 2,4-dimethyl-5-thiomorpholin-4-ylsulfonylbenzoic acid IUPAC Name: 2,4-dimethyl-5-thiomorpholin-4-ylsulfonylbenzoic acid Traditional Name: 2,4-dimethyl-5-thiomorpholinosulfonyl-benzoic acid Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCSCC2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCSCC2)C

InChI

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