2-bromanyl-5-(2-diethylaminoethylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(2-diethylaminoethylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(2-diethylaminoethylsulfonyl)benzoic acid CAS Name: 2-bromo-5-(2-diethylaminoethylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(2-diethylaminoethylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(2-diethylaminoethylsulfonyl)benzoic acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

Isomeric SMILES

CCN(CC)CCS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

InChI

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