2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanoic acid

Systemtic Name: 2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanoic acid Openeye Name: 2-(4-pyrrolidin-1-ylsulfonylphenyl)acetic acid CAS Name: 2-[4-(1-pyrrolidinylsulfonyl)phenyl]acetic acid IUPAC Name: 2-(4-pyrrolidin-1-ylsulfonylphenyl)acetic acid Traditional Name: 2-(4-pyrrolidinosulfonylphenyl)acetic acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S/c14-12(15)9-10-3-5-11(6-4-10)18(16,17)13-7-1-2-8-13/h3-6H,1-2,7-9H2,(H,14,15)