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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23NO6S/c1-15-6-7-16(2)19(12-15)20(23)14-28-21(24)17-4-3-5-18(13-17)29(25,26)22-8-10-27-11-9-22/h3-7,12-13H,8-11,14H2,1-2H3