2-bromanyl-4-methyl-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-4-methyl-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-bromo-4-methyl-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-bromo-4-methyl-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-bromo-4-methyl-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-bromo-4-methyl-5-piperidinosulfonyl-benzoic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4S/c1-9-7-11(14)10(13(16)17)8-12(9)20(18,19)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3,(H,16,17)