5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2-hydroxy-benzoic acid CAS Name: 5-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-(2-p-phenetylpyrrolidino)sulfonyl-benzoic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C19H21NO6S/c1-2-26-14-7-5-13(6-8-14)17-4-3-11-20(17)27(24,25)15-9-10-18(21)16(12-15)19(22)23/h5-10,12,17,21H,2-4,11H2,1H3,(H,22,23)