3-[1-(4-butylsulfonyloxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoic acid

Systemtic Name: 3-[1-(4-butylsulfonyloxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoic acid Openeye Name: 3-[1-(4-butylsulfonyloxyphenyl)-5-oxo-pyrrolidin-3-yl]-2-methoxy-benzoic acid CAS Name: 3-[1-(4-butylsulfonyloxyphenyl)-5-oxo-3-pyrrolidinyl]-2-methoxybenzoic acid IUPAC Name: 3-[1-(4-butylsulfonyloxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid Traditional Name: 3-[1-(4-butylsulfonyloxyphenyl)-5-keto-pyrrolidin-3-yl]-2-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)C3=CC=CC(=C3OC)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

InChI

InChI=1S/C22H25NO7S/c1-3-4-12-31(27,28)30-17-10-8-16(9-11-17)23-14-15(13-20(23)24)18-6-5-7-19(22(25)26)21(18)29-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,25,26)