[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-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(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

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

InChI

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