methyl 3-[(3-piperidin-1-ylsulfonylphenyl)carbonyloxymethyl]benzoate

Systemtic Name: methyl 3-[(3-piperidin-1-ylsulfonylphenyl)carbonyloxymethyl]benzoate Openeye Name: methyl 3-[[3-(1-piperidylsulfonyl)benzoyl]oxymethyl]benzoate CAS Name: 3-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-piperidin-1-ylsulfonylbenzoyl)oxymethyl]benzoate Traditional Name: 3-[(3-piperidinosulfonylbenzoyl)oxymethyl]benzoic acid methyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO6S/c1-27-20(23)17-8-5-7-16(13-17)15-28-21(24)18-9-6-10-19(14-18)29(25,26)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12,15H2,1H3