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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(CCOCC2)C(=O)OS(=O)(=O)N3CCCCC3)C4=CC(=CC=C4)OCC=O

Isomeric SMILES

CC1=C(C=CC(=C1)C2(CCOCC2)C(=O)OS(=O)(=O)N3CCCCC3)C4=CC(=CC=C4)OCC=O

InChI

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