2-bromanyl-5-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid CAS Name: 2-bromo-5-[2-(1-pyrrolidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(2-pyrrolidinoethylsulfonyl)benzoic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4S/c14-12-4-3-10(9-11(12)13(16)17)20(18,19)8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2,(H,16,17)