[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO7S/c1-15-5-6-18(13-16(15)2)22(25)17(3)31-23(26)19-7-8-20(29-4)21(14-19)32(27,28)24-9-11-30-12-10-24/h5-8,13-14,17H,9-12H2,1-4H3