(4-methoxycarbonylphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-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)C(=O)OCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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