[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C

InChI

InChI=1S/C22H25NO6S/c1-15-11-17(3)20(12-16(15)2)21(24)14-29-22(25)18-5-4-6-19(13-18)30(26,27)23-7-9-28-10-8-23/h4-6,11-13H,7-10,14H2,1-3H3