piperidin-1-ylsulfonyl 4-[3-methyl-4-[3-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]oxane-4-carboxylate

Systemtic Name: piperidin-1-ylsulfonyl 4-[3-methyl-4-[3-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]oxane-4-carboxylate Openeye Name: 1-piperidylsulfonyl 4-[4-(3-tert-butoxyphenyl)-3-methyl-phenyl]tetrahydropyran-4-carboxylate CAS Name: 4-[3-methyl-4-[3-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-4-oxanecarboxylic acid 1-piperidinylsulfonyl ester IUPAC Name: piperidin-1-ylsulfonyl 4-[3-methyl-4-[3-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]oxane-4-carboxylate Traditional Name: 4-[4-(3-tert-butoxyphenyl)-3-methyl-phenyl]tetrahydropyran-4-carboxylic acid piperidinosulfonyl ester Formula: C28H37NO6S MolecularWeight: 515.66148

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO6S/c1-21-19-23(11-12-25(21)22-9-8-10-24(20-22)34-27(2,3)4)28(13-17-33-18-14-28)26(30)35-36(31,32)29-15-6-5-7-16-29/h8-12,19-20H,5-7,13-18H2,1-4H3