[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H25NO8S MolecularWeight: 463.5008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO8S/c1-15-4-5-17(13-21(15)32(26,27)23-8-10-30-11-9-23)22(25)31-14-18(24)16-6-7-19(28-2)20(12-16)29-3/h4-7,12-13H,8-11,14H2,1-3H3