[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,6-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,6-dimethoxybenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-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=C(C(=CC=C1)OC)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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