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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)O)Br)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)O)Br)S(=O)(=O)N2CCCCC2

InChI

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