2-bromanyl-6-methyl-6-piperidin-1-ylsulfonyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 2-bromanyl-6-methyl-6-piperidin-1-ylsulfonyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 2-bromo-6-methyl-6-(1-piperidylsulfonyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 2-bromo-6-methyl-6-(1-piperidinylsulfonyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 2-bromo-6-methyl-6-piperidin-1-ylsulfonylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 2-bromo-6-methyl-6-piperidinosulfonyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO4S/c1-13(7-5-6-10(14)11(13)12(16)17)20(18,19)15-8-3-2-4-9-15/h5-7,11H,2-4,8-9H2,1H3,(H,16,17)