3-bromanyl-4-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-bromanyl-4-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-bromo-4-[(3-hydroxy-1-piperidyl)sulfonyl]benzoic acid CAS Name: 3-bromo-4-[(3-hydroxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 3-bromo-4-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-bromo-4-(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=C(C=C(C=C2)C(=O)O)Br)O

Isomeric SMILES

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

InChI

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