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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (4-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=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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