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

Systemtic Name: 2-bromanyl-5-(3-phenylmethoxypiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 5-[(3-benzyloxy-1-piperidyl)sulfonyl]-2-bromo-benzoic acid CAS Name: 2-bromo-5-[(3-phenylmethoxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(3-phenylmethoxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 5-(3-benzoxypiperidino)sulfonyl-2-bromo-benzoic acid Formula: C19H20BrNO5S MolecularWeight: 454.3348

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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)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20BrNO5S/c20-18-9-8-16(11-17(18)19(22)23)27(24,25)21-10-4-7-15(12-21)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,22,23)