3-pyrrolidin-1-ylsulfonylbenzoic acid

Systemtic Name: 3-pyrrolidin-1-ylsulfonylbenzoic acid Openeye Name: 3-pyrrolidin-1-ylsulfonylbenzoic acid CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid IUPAC Name: 3-pyrrolidin-1-ylsulfonylbenzoic acid Traditional Name: 3-pyrrolidinosulfonylbenzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c13-11(14)9-4-3-5-10(8-9)17(15,16)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,13,14)