2-bromanyl-5-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[(3-hydroxy-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-bromo-5-[(3-hydroxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(3-hydroxypiperidino)sulfonyl-benzoic acid Formula: C12H14BrNO5S MolecularWeight: 364.21226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)O

InChI

InChI=1S/C12H14BrNO5S/c13-11-4-3-9(6-10(11)12(16)17)20(18,19)14-5-1-2-8(15)7-14/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)