[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-keto-2-(4-morpholinosulfonylphenyl)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)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

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

InChI

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