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

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25NO7S/c1-3-29-19-8-6-17(7-9-19)20(24)15-30-22(25)18-5-4-16(2)21(14-18)31(26,27)23-10-12-28-13-11-23/h4-9,14H,3,10-13,15H2,1-2H3