2-bromanyl-5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-bromo-5-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-(4-methylolpiperidino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1CO)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO5S/c14-12-2-1-10(7-11(12)13(17)18)21(19,20)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8H2,(H,17,18)