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

Systemtic Name: 2-bromanyl-5-(2-dimethylaminoethylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(2-dimethylaminoethylsulfonyl)benzoic acid CAS Name: 2-bromo-5-(2-dimethylaminoethylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(2-dimethylaminoethylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(2-dimethylaminoethylsulfonyl)benzoic acid Formula: C11H14BrNO4S MolecularWeight: 336.20216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO4S/c1-13(2)5-6-18(16,17)8-3-4-10(12)9(7-8)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)