[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C22H23NO5S3 MolecularWeight: 477.61672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H23NO5S3/c24-20(16-7-9-19(10-8-16)31(26,27)23-11-1-2-12-23)15-28-21(25)17-3-5-18(6-4-17)22-29-13-14-30-22/h3-10,22H,1-2,11-15H2