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

Systemtic Name: piperidin-1-ylsulfonyl 4-[4-(3-methanoylphenyl)-3-methyl-phenyl]oxane-4-carboxylate Openeye Name: 1-piperidylsulfonyl 4-[4-(3-formylphenyl)-3-methyl-phenyl]tetrahydropyran-4-carboxylate CAS Name: 4-[4-(3-formylphenyl)-3-methylphenyl]-4-oxanecarboxylic acid 1-piperidinylsulfonyl ester IUPAC Name: piperidin-1-ylsulfonyl 4-[4-(3-formylphenyl)-3-methylphenyl]oxane-4-carboxylate Traditional Name: 4-[4-(3-formylphenyl)-3-methyl-phenyl]tetrahydropyran-4-carboxylic acid piperidinosulfonyl ester Formula: C25H29NO6S MolecularWeight: 471.56586

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO6S/c1-19-16-22(8-9-23(19)21-7-5-6-20(17-21)18-27)25(10-14-31-15-11-25)24(28)32-33(29,30)26-12-3-2-4-13-26/h5-9,16-18H,2-4,10-15H2,1H3