3-bromanyl-5-thiomorpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 3-bromanyl-5-thiomorpholin-4-ylsulfonyl-benzoic acid Openeye Name: 3-bromo-5-thiomorpholinosulfonyl-benzoic acid CAS Name: 3-bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid IUPAC Name: 3-bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid Traditional Name: 3-bromo-5-thiomorpholinosulfonyl-benzoic acid Formula: C11H12BrNO4S2 MolecularWeight: 366.25128

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1S(=O)(=O)C2=CC(=CC(=C2)C(=O)O)Br

Isomeric SMILES

C1CSCCN1S(=O)(=O)C2=CC(=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C11H12BrNO4S2/c12-9-5-8(11(14)15)6-10(7-9)19(16,17)13-1-3-18-4-2-13/h5-7H,1-4H2,(H,14,15)