(3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyric acid (3-morpholinosulfonylbenzyl) ester Formula: C23H27NO8S MolecularWeight: 477.52738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C23H27NO8S/c1-29-21-8-6-18(15-22(21)30-2)20(25)7-9-23(26)32-16-17-4-3-5-19(14-17)33(27,28)24-10-12-31-13-11-24/h3-6,8,14-15H,7,9-13,16H2,1-2H3