4-[[1-(4-butylsulfonyloxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid

Systemtic Name: 4-[[1-(4-butylsulfonyloxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[1-(4-butylsulfonyloxyphenyl)-5-oxo-pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[1-(4-butylsulfonyloxyphenyl)-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[1-(4-butylsulfonyloxyphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[1-(4-butylsulfonyloxyphenyl)-5-keto-pyrrolidin-3-yl]methoxy]benzoic acid Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H25NO7S/c1-2-3-12-31(27,28)30-20-10-6-18(7-11-20)23-14-16(13-21(23)24)15-29-19-8-4-17(5-9-19)22(25)26/h4-11,16H,2-3,12-15H2,1H3,(H,25,26)