2-ethoxy-5-pyrrolidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-ethoxy-5-pyrrolidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-ethoxy-5-pyrrolidin-1-ylsulfonyl-benzoic acid CAS Name: 2-ethoxy-5-(1-pyrrolidinylsulfonyl)benzoic acid IUPAC Name: 2-ethoxy-5-pyrrolidin-1-ylsulfonylbenzoic acid Traditional Name: 2-ethoxy-5-pyrrolidinosulfonyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-2-19-12-6-5-10(9-11(12)13(15)16)20(17,18)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)