4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzoic acid Openeye Name: 4-bromo-3-pyrrolidin-1-ylsulfonyl-benzoic acid CAS Name: 4-bromo-3-(1-pyrrolidinylsulfonyl)benzoic acid IUPAC Name: 4-bromo-3-pyrrolidin-1-ylsulfonylbenzoic acid Traditional Name: 4-bromo-3-pyrrolidinosulfonyl-benzoic acid Formula: C11H12BrNO4S MolecularWeight: 334.18628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C11H12BrNO4S/c12-9-4-3-8(11(14)15)7-10(9)18(16,17)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)