(4-cyano-2-methoxy-phenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C#N)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C#N)OC)S(=O)(=O)N3CCCCC3

InChI

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