(4-cyano-2-methoxy-phenyl) 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-26-19-13-15(14-21)5-10-18(19)27-20(23)16-6-8-17(9-7-16)28(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3