[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H25NO7S/c1-28-18-12-17(13-19(14-18)29-2)22(25)30-15-21(24)16-6-8-20(9-7-16)31(26,27)23-10-4-3-5-11-23/h6-9,12-14H,3-5,10-11,15H2,1-2H3