(2-methoxy-2-oxidanylidene-ethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H28N2O6S/c1-27-19(23)15-28-20(24)16-8-9-17(21-10-4-2-5-11-21)18(14-16)29(25,26)22-12-6-3-7-13-22/h8-9,14H,2-7,10-13,15H2,1H3