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

Systemtic Name: 4-bromanyl-3-(4-methoxypiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 4-bromo-3-[(4-methoxy-1-piperidyl)sulfonyl]benzoic acid CAS Name: 4-bromo-3-[(4-methoxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 4-bromo-3-(4-methoxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-bromo-3-(4-methoxypiperidino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

COC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO5S/c1-20-10-4-6-15(7-5-10)21(18,19)12-8-9(13(16)17)2-3-11(12)14/h2-3,8,10H,4-7H2,1H3,(H,16,17)