[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C22H25NO8S MolecularWeight: 463.5008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H25NO8S/c1-28-19-12-16(13-20(29-2)21(19)30-3)18(24)14-31-22(25)15-6-8-17(9-7-15)32(26,27)23-10-4-5-11-23/h6-9,12-13H,4-5,10-11,14H2,1-3H3