(2-methoxy-5-methyl-phenyl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-16-9-10-20(26-2)18(13-16)15-27-21(23)17-7-6-8-19(14-17)28(24,25)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12,15H2,1-2H3