4-methyl-3-thiomorpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-thiomorpholin-4-ylsulfonyl-benzoic acid Openeye Name: 4-methyl-3-thiomorpholinosulfonyl-benzoic acid CAS Name: 4-methyl-3-thiomorpholin-4-ylsulfonylbenzoic acid IUPAC Name: 4-methyl-3-thiomorpholin-4-ylsulfonylbenzoic acid Traditional Name: 4-methyl-3-thiomorpholinosulfonyl-benzoic acid Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCSCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCSCC2

InChI

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