4-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-(4-bromophenyl)-4-hydroxy-piperidino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C17H22BrNO6S MolecularWeight: 448.32868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)O)S(=O)(=O)C3(CCOCC3)C(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)S(=O)(=O)C3(CCOCC3)C(=O)O

InChI

InChI=1S/C17H22BrNO6S/c18-14-3-1-13(2-4-14)16(22)5-9-19(10-6-16)26(23,24)17(15(20)21)7-11-25-12-8-17/h1-4,22H,5-12H2,(H,20,21)