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

Systemtic Name: (4-cyano-2-ethoxy-phenyl) 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-cyano-2-ethoxy-phenyl) 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (4-cyano-2-ethoxyphenyl) ester IUPAC Name: (4-cyano-2-ethoxyphenyl) 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (4-cyano-2-ethoxy-phenyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22N2O5S/c1-2-27-20-14-16(15-22)6-11-19(20)28-21(24)17-7-9-18(10-8-17)29(25,26)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3