4-(3-acetamidopyrrolidin-1-yl)benzenesulfonic acid

Systemtic Name: 4-(3-acetamidopyrrolidin-1-yl)benzenesulfonic acid Openeye Name: 4-(3-acetamidopyrrolidin-1-yl)benzenesulfonic acid CAS Name: 4-(3-acetamido-1-pyrrolidinyl)benzenesulfonic acid IUPAC Name: 4-(3-acetamidopyrrolidin-1-yl)benzenesulfonic acid Traditional Name: 4-(3-acetamidopyrrolidino)besylic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCN(C1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1CCN(C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H16N2O4S/c1-9(15)13-10-6-7-14(8-10)11-2-4-12(5-3-11)19(16,17)18/h2-5,10H,6-8H2,1H3,(H,13,15)(H,16,17,18)