5-chloranyl-2-methoxy-3-thiomorpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-3-thiomorpholin-4-ylsulfonyl-benzoic acid Openeye Name: 5-chloro-2-methoxy-3-thiomorpholinosulfonyl-benzoic acid CAS Name: 5-chloro-2-methoxy-3-thiomorpholin-4-ylsulfonylbenzoic acid IUPAC Name: 5-chloro-2-methoxy-3-thiomorpholin-4-ylsulfonylbenzoic acid Traditional Name: 5-chloro-2-methoxy-3-thiomorpholinosulfonyl-benzoic acid Formula: C12H14ClNO5S2 MolecularWeight: 351.82626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)N2CCSCC2

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)N2CCSCC2

InChI

InChI=1S/C12H14ClNO5S2/c1-19-11-9(12(15)16)6-8(13)7-10(11)21(17,18)14-2-4-20-5-3-14/h6-7H,2-5H2,1H3,(H,15,16)