2,5-bis(chloranyl)-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 2,5-dichloro-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid CAS Name: 2,5-dichloro-3-[2-(1-pyrrolidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 2,5-dichloro-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 2,5-dichloro-3-(2-pyrrolidinoethylsulfonyl)benzoic acid Formula: C13H15Cl2NO4S MolecularWeight: 352.2335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2NO4S/c14-9-7-10(13(17)18)12(15)11(8-9)21(19,20)6-5-16-3-1-2-4-16/h7-8H,1-6H2,(H,17,18)