(3-methoxycarbonylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (3-carbomethoxybenzyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H25NO6S/c1-16-9-10-19(30(26,27)23-11-4-3-5-12-23)14-20(16)22(25)29-15-17-7-6-8-18(13-17)21(24)28-2/h6-10,13-14H,3-5,11-12,15H2,1-2H3