2-bromanyl-6-methyl-3-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-6-methyl-3-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-bromo-6-methyl-3-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-bromo-6-methyl-3-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-bromo-6-methyl-3-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-bromo-6-methyl-3-piperidinosulfonyl-benzoic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCCC2)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCCC2)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO4S/c1-9-5-6-10(12(14)11(9)13(16)17)20(18,19)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3,(H,16,17)