[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C22H25NO5S/c1-15-12-16(2)21(17(3)13-15)22(25)28-14-20(24)18-6-8-19(9-7-18)29(26,27)23-10-4-5-11-23/h6-9,12-13H,4-5,10-11,14H2,1-3H3