4-[2-(methoxymethyl)pyrrolidin-1-yl]benzenesulfonic acid

Systemtic Name: 4-[2-(methoxymethyl)pyrrolidin-1-yl]benzenesulfonic acid Openeye Name: 4-[2-(methoxymethyl)pyrrolidin-1-yl]benzenesulfonic acid CAS Name: 4-[2-(methoxymethyl)-1-pyrrolidinyl]benzenesulfonic acid IUPAC Name: 4-[2-(methoxymethyl)pyrrolidin-1-yl]benzenesulfonic acid Traditional Name: 4-[2-(methoxymethyl)pyrrolidino]besylic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

COCC1CCCN1C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H17NO4S/c1-17-9-11-3-2-8-13(11)10-4-6-12(7-5-10)18(14,15)16/h4-7,11H,2-3,8-9H2,1H3,(H,14,15,16)