3-bromanyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 3-bromanyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 3-bromo-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-bromo-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-bromo-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-bromo-4-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO4S/c1-9-3-2-6-15(8-9)20(18,19)12-5-4-10(13(16)17)7-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)/t9-/m0/s1