2-bromanyl-3-thiomorpholin-3-ylsulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-3-thiomorpholin-3-ylsulfonyl-benzoic acid Openeye Name: 2-bromo-3-thiomorpholin-3-ylsulfonyl-benzoic acid CAS Name: 2-bromo-3-(3-thiomorpholinylsulfonyl)benzoic acid IUPAC Name: 2-bromo-3-thiomorpholin-3-ylsulfonylbenzoic acid Traditional Name: 2-bromo-3-thiomorpholin-3-ylsulfonyl-benzoic acid Formula: C11H12BrNO4S2 MolecularWeight: 366.25128

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(N1)S(=O)(=O)C2=CC=CC(=C2Br)C(=O)O

Isomeric SMILES

C1CSCC(N1)S(=O)(=O)C2=CC=CC(=C2Br)C(=O)O

InChI

InChI=1S/C11H12BrNO4S2/c12-10-7(11(14)15)2-1-3-8(10)19(16,17)9-6-18-5-4-13-9/h1-3,9,13H,4-6H2,(H,14,15)