piperidin-1-ylsulfonyl 2-(3-methylphenyl)-2-[3-(2-oxidanylideneethoxy)phenyl]oxane-4-carboxylate

Systemtic Name: piperidin-1-ylsulfonyl 2-(3-methylphenyl)-2-[3-(2-oxidanylideneethoxy)phenyl]oxane-4-carboxylate Openeye Name: 1-piperidylsulfonyl 2-(m-tolyl)-2-[3-(2-oxoethoxy)phenyl]tetrahydropyran-4-carboxylate CAS Name: 2-(3-methylphenyl)-2-[3-(2-oxoethoxy)phenyl]-4-oxanecarboxylic acid 1-piperidinylsulfonyl ester IUPAC Name: piperidin-1-ylsulfonyl 2-(3-methylphenyl)-2-[3-(2-oxoethoxy)phenyl]oxane-4-carboxylate Traditional Name: 2-[3-(2-ketoethoxy)phenyl]-2-(m-tolyl)tetrahydropyran-4-carboxylic acid piperidinosulfonyl ester Formula: C26H31NO7S MolecularWeight: 501.59184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CC(CCO2)C(=O)OS(=O)(=O)N3CCCCC3)C4=CC(=CC=C4)OCC=O

Isomeric SMILES

CC1=CC=CC(=C1)C2(CC(CCO2)C(=O)OS(=O)(=O)N3CCCCC3)C4=CC(=CC=C4)OCC=O

InChI

InChI=1S/C26H31NO7S/c1-20-7-5-8-22(17-20)26(23-9-6-10-24(18-23)32-16-14-28)19-21(11-15-33-26)25(29)34-35(30,31)27-12-3-2-4-13-27/h5-10,14,17-18,21H,2-4,11-13,15-16,19H2,1H3