(2,5-dimethoxyphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2,5-dimethoxybenzyl) ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=CC(=C2)OC)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=CC(=C2)OC)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H27NO6S/c1-16-7-8-17(14-21(16)30(25,26)23-11-5-4-6-12-23)22(24)29-15-18-13-19(27-2)9-10-20(18)28-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3