4-bromanyl-3-(2-diethylaminoethylsulfonyl)benzoic acid

Systemtic Name: 4-bromanyl-3-(2-diethylaminoethylsulfonyl)benzoic acid Openeye Name: 4-bromo-3-(2-diethylaminoethylsulfonyl)benzoic acid CAS Name: 4-bromo-3-(2-diethylaminoethylsulfonyl)benzoic acid IUPAC Name: 4-bromo-3-(2-diethylaminoethylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-(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=C(C=CC(=C1)C(=O)O)Br

Isomeric SMILES

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

InChI

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