2-bromanyl-5-(4-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(4-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[(4-hydroxy-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-bromo-5-[(4-hydroxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(4-hydroxypiperidino)sulfonyl-benzoic acid Formula: C12H14BrNO5S MolecularWeight: 364.21226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1O)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H14BrNO5S/c13-11-2-1-9(7-10(11)12(16)17)20(18,19)14-5-3-8(15)4-6-14/h1-2,7-8,15H,3-6H2,(H,16,17)